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[ CAS No. 1212-53-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1212-53-9
Chemical Structure| 1212-53-9
Structure of 1212-53-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1212-53-9 ]

CAS No. :1212-53-9 MDL No. :MFCD00043631
Formula : C11H13NO4 Boiling Point : No data available
Linear Structure Formula :- InChI Key :DZYBBBYFLOPVOL-UHFFFAOYSA-N
M.W : 223.23 Pubchem ID :71033
Synonyms :
Chemical Name :Z-Gly-OMe

Calculated chemistry of [ 1212-53-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.27
Num. rotatable bonds : 7
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 56.4
TPSA : 64.63 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.29
Log Po/w (XLOGP3) : 1.36
Log Po/w (WLOGP) : 0.93
Log Po/w (MLOGP) : 1.15
Log Po/w (SILICOS-IT) : 1.1
Consensus Log Po/w : 1.37

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.9
Solubility : 2.83 mg/ml ; 0.0127 mol/l
Class : Very soluble
Log S (Ali) : -2.32
Solubility : 1.07 mg/ml ; 0.00479 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.03
Solubility : 0.207 mg/ml ; 0.000929 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.21

Safety of [ 1212-53-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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