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[ CAS No. 1676-81-9 ] Z-Ser-OMe

Cat. No.: A244082
Chemical Structure| 1676-81-9
Chemical Structure| 1676-81-9
Structure of 1676-81-9 * Storage: Keep in dark place,Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
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97% 5g $11.00 Inquiry Inquiry
97% 10g $14.00 Inquiry Inquiry
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* Storage: Keep in dark place,Sealed in dry,Room Temperature

* Shipping: Normal

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Product Details of [ 1676-81-9 ]

CAS No. :1676-81-9 MDL No. :MFCD00077039
Formula : C12H15NO5 Boiling Point : -
Linear Structure Formula :C6H5CH2OCONHCH(CH2OH)CO2CH3 InChI Key :CINAUOAOVQPWIB-JTQLQIEISA-N
M.W : 253.25 Pubchem ID :6999535
Synonyms :
Chemical Name :Methyl ((benzyloxy)carbonyl)-L-serinate

Calculated chemistry of [ 1676-81-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 8
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 62.37
TPSA : 84.86 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.34 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.5
Log Po/w (XLOGP3) : 0.71
Log Po/w (WLOGP) : 0.29
Log Po/w (MLOGP) : 0.62
Log Po/w (SILICOS-IT) : 0.73
Consensus Log Po/w : 0.97

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.58
Solubility : 6.72 mg/ml ; 0.0265 mol/l
Class : Very soluble
Log S (Ali) : -2.07
Solubility : 2.16 mg/ml ; 0.00851 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.5
Solubility : 0.795 mg/ml ; 0.00314 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.86

Safety of [ 1676-81-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1676-81-9 ]

* 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 [ 1676-81-9 ]
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