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[ CAS No. 102123-74-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
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Chemical Structure| 102123-74-0
Chemical Structure| 102123-74-0
Structure of 102123-74-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 102123-74-0 ]

CAS No. :102123-74-0 MDL No. :MFCD11041198
Formula : C15H20ClNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :JAKDNFBATYIEIE-LBPRGKRZSA-N
M.W : 297.78 Pubchem ID :9926241
Synonyms :

Calculated chemistry of [ 102123-74-0 ]

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.47
Num. rotatable bonds : 8
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 79.37
TPSA : 55.4 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.46
Log Po/w (XLOGP3) : 3.29
Log Po/w (WLOGP) : 2.93
Log Po/w (MLOGP) : 2.49
Log Po/w (SILICOS-IT) : 3.15
Consensus Log Po/w : 2.86

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.45
Solubility : 0.105 mg/ml ; 0.000352 mol/l
Class : Soluble
Log S (Ali) : -4.13
Solubility : 0.0221 mg/ml ; 0.0000744 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.76
Solubility : 0.00516 mg/ml ; 0.0000173 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.88

Safety of [ 102123-74-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501 UN#:3261
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 102123-74-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 102123-74-0 ]

[ 102123-74-0 ] Synthesis Path-Downstream   1~85

  • 1
  • [ 186581-53-3 ]
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  • [ 338462-91-2 ]
  • 5
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  • (R)-5-((S)-1-tert-Butoxycarbonylamino-2-phenyl-ethyl)-2-oxo-tetrahydro-furan-3-carboxylic acid [ No CAS ]
  • 6
  • [ 102123-74-0 ]
  • {(S)-1-[(2R,4R)-4-(4-Benzyl-benzyl)-5-oxo-tetrahydro-furan-2-yl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester [ No CAS ]
  • 7
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  • [ 794525-84-1 ]
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  • 16
  • [ 339190-43-1 ]
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  • 17
  • [ 286019-77-0 ]
  • [ 102123-74-0 ]
  • 18
  • [ 102123-74-0 ]
  • 3-aminomethyl-6-benzyl-5-methyl-1<i>H</i>-pyrazin-2-one [ No CAS ]
  • 19
  • [ 102123-74-0 ]
  • 3-(2-amino-ethyl)-6-benzyl-5-methyl-1<i>H</i>-pyrazin-2-one [ No CAS ]
  • 20
  • [ 102123-74-0 ]
  • 3-(3-amino-propyl)-6-benzyl-5-methyl-1<i>H</i>-pyrazin-2-one [ No CAS ]
  • 21
  • [ 102123-74-0 ]
  • 3-(4-amino-butyl)-6-benzyl-5-methyl-1<i>H</i>-pyrazin-2-one [ No CAS ]
  • 22
  • [ 102123-74-0 ]
  • [ 214826-63-8 ]
  • 23
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  • [ 214826-62-7 ]
  • 24
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  • [ 214826-61-6 ]
  • 25
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  • [ 214826-60-5 ]
  • 26
  • [ 102123-74-0 ]
  • 6-benzyl-5-methyl-3-tyrosylaminomethyl-2(1H)-pyrazinone [ No CAS ]
  • 27
  • [ 102123-74-0 ]
  • 6-benzyl-5-methyl-3-tyrosylaminoethyl-2(1H)-pyrazinone [ No CAS ]
  • 28
  • [ 102123-74-0 ]
  • 6-benzyl-5-methyl-3-tyrosylaminopropyl-2(1H)-pyrazinone [ No CAS ]
  • 29
  • [ 102123-74-0 ]
  • 6-benzyl-5-methyl-3-tyrosylaminobutyl-2(1H)-pyrazinone [ No CAS ]
  • 30
  • [ 102123-74-0 ]
  • [ 214826-48-9 ]
  • 31
  • [ 102123-74-0 ]
  • [ 214826-47-8 ]
  • 32
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  • [ 214826-46-7 ]
  • 33
  • [ 102123-74-0 ]
  • [ 214826-78-5 ]
  • 34
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  • [ 214826-77-4 ]
  • 35
  • [ 102123-74-0 ]
  • [ 214826-45-6 ]
  • 36
  • [ 102123-74-0 ]
  • [ 214826-76-3 ]
  • 37
  • [ 102123-74-0 ]
  • [ 214826-75-2 ]
  • 38
  • [ 102123-74-0 ]
  • HCl*Dap(Z)-Phe-CH2Cl [ No CAS ]
  • 39
  • [ 102123-74-0 ]
  • HCl*Dab(Z)-Phe-CH2Cl [ No CAS ]
  • 40
  • [ 102123-74-0 ]
  • HCl*Orn(Z)-Phe-CH2Cl [ No CAS ]
  • 41
  • [ 102123-74-0 ]
  • HCl*Lys(Z)-Phe-CH2Cl [ No CAS ]
  • 43
  • [ 102123-74-0 ]
  • {(S)-5-[(S)-2-((S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-5-carbamoyl-pentyl}-carbamic acid benzyl ester [ No CAS ]
  • 44
  • [ 102123-74-0 ]
  • (S)-2-{(S)-2-[(S)-2-((S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-3-hydroxycarbamoyl-propionylamino}-3-phenyl-propionic acid methyl ester [ No CAS ]
  • 45
  • [ 102123-74-0 ]
  • ((S)-1-Benzyl-3-{(S)-1-[(S)-2-(2-benzyloxycarbonylamino-ethylcarbamoyl)-1-carbamoyl-ethylcarbamoyl]-2-phenyl-ethylamino}-2-hydroxy-propyl)-carbamic acid tert-butyl ester [ No CAS ]
  • 46
  • [ 102123-74-0 ]
  • (S)-2-{(S)-2-[(S)-2-((S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-4-hydroxycarbamoyl-butyrylamino}-3-phenyl-propionic acid methyl ester [ No CAS ]
  • 47
  • [ 102123-74-0 ]
  • (S)-3-[(S)-2-((S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-N-((S)-1-methoxycarbonyl-2-phenyl-ethyl)-succinamic acid benzyl ester [ No CAS ]
  • 48
  • [ 102123-74-0 ]
  • (S)-2-{(S)-3-Benzyloxycarbamoyl-2-[(S)-2-((S)-3-tert-butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-propionylamino}-3-phenyl-propionic acid methyl ester [ No CAS ]
  • 49
  • [ 102123-74-0 ]
  • (S)-4-[(S)-2-((S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-4-((S)-1-methoxycarbonyl-2-phenyl-ethylcarbamoyl)-butyric acid benzyl ester [ No CAS ]
  • 50
  • [ 102123-74-0 ]
  • (S)-2-{(S)-4-Benzyloxycarbamoyl-2-[(S)-2-((S)-3-tert-butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-butyrylamino}-3-phenyl-propionic acid methyl ester [ No CAS ]
  • 51
  • [ 102123-74-0 ]
  • {(S)-5-[(S)-2-((S)-3-Amino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-5-carbamoyl-pentyl}-carbamic acid benzyl ester; compound with trifluoro-acetic acid [ No CAS ]
  • 52
  • [ 102123-74-0 ]
  • (2-{(S)-3-[(S)-2-((S)-3-Amino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-3-carbamoyl-propionylamino}-ethyl)-carbamic acid benzyl ester; compound with trifluoro-acetic acid [ No CAS ]
  • 53
  • [ 102123-74-0 ]
  • (R)-2-{(2R,3R)-2-[(R)-2-((S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid methyl ester [ No CAS ]
  • 54
  • [ 102123-74-0 ]
  • (S)-2-{(2S,3S)-2-[(S)-2-((S)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid methyl ester [ No CAS ]
  • 55
  • [ 102123-74-0 ]
  • [ 155847-91-9 ]
  • 56
  • [ 102123-74-0 ]
  • [ 155650-95-6 ]
  • 57
  • [ 102123-74-0 ]
  • [ 155847-96-4 ]
  • 58
  • [ 102123-74-0 ]
  • 6-Benzyl-1,5-dimethyl-1H-pyrazin-2-one [ No CAS ]
  • 59
  • [ 102123-74-0 ]
  • 3-Benzyl-5-methoxy-2-methyl-pyrazine [ No CAS ]
  • 60
  • [ 102123-74-0 ]
  • 2,5-Dibenzyl-3-methoxy-6-methyl-pyrazine [ No CAS ]
  • 61
  • [ 102123-74-0 ]
  • 3,6-Dibenzyl-1,5-dimethyl-1H-pyrazin-2-one [ No CAS ]
  • 62
  • [ 102123-74-0 ]
  • [ 35172-58-8 ]
  • 63
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  • [ 99113-35-6 ]
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  • 73
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  • [ 162538-49-0 ]
  • 74
  • [ 102123-74-0 ]
  • (R-(R*,S*))-<iminobis<2-hydroxy-1-(phenylmethyl)-3,1-propanediyl>>bis<carbamic acid> bis(1-methylethyl ester) [ No CAS ]
  • 75
  • [ 102123-74-0 ]
  • (1S-(1R*(2S*,3R)))-<3-<<3-<<(1,1-dimethylethoxy)carbonyl>amino>-2-hydroxy-4-phenylbutyl>amino>-1-(phenylmethyl)propyl>carbamic acid, 1,1-dimethylethyl ester [ No CAS ]
  • 76
  • [ 102123-74-0 ]
  • (1S-(1R*,2S*(2S*,3R*)))-<3-<<3-<(3,3-dimethylethyl-1-oxybutyl)amino>-2-hydroxy-4-phenylbutyl>amino>-2-hydroxy-1-(phenylmethyl)propyl>carbamic acid, 1,1-dimethylethyl ester [ No CAS ]
  • 77
  • [ 102123-74-0 ]
  • (1S-(1R*,2S*(2S*,3R*)))-<3-<<3-<<<(1-dimethylethyl)amino>carbonyl>amino>-2-hydroxy-4-phenylbutyl>amino>-2-hydroxy-1-(phenylmethyl)propyl>carbamic acid, 1,1-dimethylethyl ester [ No CAS ]
  • 78
  • [ 102123-74-0 ]
  • (1S-(1R*,2S*(2S*,3R*)))-<3-<<3-<<<(1-dimethylethyl)thio>carbonyl>amino>-2-hydroxy-4-phenylbutyl>amino>-2-hydroxy-1-(phenylmethyl)propyl>carbamic acid, 1,1-dimethylethyl ester [ No CAS ]
  • 79
  • [ 102123-74-0 ]
  • (1S-(1R*,2S*(2S*,3R)))-<3-<<3-<<(1,1-dimethylethoxy)carbonyl>amino>-2-hydroxy-4-phenylbutyl>amino>-2-methoxy-1-(phenylmethyl)propyl>carbamic acid, 1,1-dimethylethyl ester [ No CAS ]
  • 80
  • [ 102123-74-0 ]
  • <(S)-3-<<(R,S)-3-<<(1,1-dimethylethoxy)carbonyl>amino>-2-hydroxy-4-phenylbutyl>methylamino>-2-hydroxy-1-(phenylmethyl)propyl>carbamic acid, 1,1-dimethylethyl ester [ No CAS ]
  • 81
  • [ 102123-74-0 ]
  • (1S-(1R*,2S*(2S,3R*)))-<3-<<3-<<(dimethylethoxy)carbonyl>amino>-2-hydroxy-4-(4-hydroxyphenyl)butyl>amino>-2-hydroxy-1-(2-phenylmethyl)propyl>carbamic acid 1,1-dimethylethyl ester [ No CAS ]
  • 82
  • [ 102123-74-0 ]
  • (S-(1R*,2S*))-<iminobis<2-hydroxy-1-(phenylmethyl)-3,1-propanediyl>>bis<carbamic acid> bis(2,2-dimethylpropyl ester) [ No CAS ]
  • 83
  • [ 102123-74-0 ]
  • [ 162538-40-1 ]
  • 84
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  • [ 165727-48-0 ]
  • 85
  • [ 102123-74-0 ]
  • [ 162539-71-1 ]
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