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[ CAS No. 143443-23-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 143443-23-6
Chemical Structure| 143443-23-6
Structure of 143443-23-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 143443-23-6 ]

CAS No. :143443-23-6 MDL No. :MFCD29919494
Formula : C20H26N2 Boiling Point : -
Linear Structure Formula :- InChI Key :SJBYIGXWWGSEES-WOJBJXKFSA-N
M.W : 294.43 Pubchem ID :11140957
Synonyms :

Calculated chemistry of [ 143443-23-6 ]

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.4
Num. rotatable bonds : 6
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 93.03
TPSA : 24.06 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.48
Log Po/w (XLOGP3) : 3.69
Log Po/w (WLOGP) : 3.57
Log Po/w (MLOGP) : 3.47
Log Po/w (SILICOS-IT) : 3.95
Consensus Log Po/w : 3.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.0
Solubility : 0.0296 mg/ml ; 0.000101 mol/l
Class : Soluble
Log S (Ali) : -3.89
Solubility : 0.0383 mg/ml ; 0.00013 mol/l
Class : Soluble
Log S (SILICOS-IT) : -7.02
Solubility : 0.0000279 mg/ml ; 0.0000000946 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.56

Safety of [ 143443-23-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 143443-23-6 ]

* 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 [ 143443-23-6 ]

[ 143443-23-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 28240-69-9 ]
  • [ 65838-10-0 ]
  • bis-1,2-[2-((1R,2R)-2,3,3a,4,5,6,7,7a-octahydro-1,3-dibenzyl-1H-1,3,2-benzodiazaphosphole)]ethane [ No CAS ]
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