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CAS 191599-62-9 R-2-Hydroxyphenylglycine methyl ester hydrochloride molecular structure lightbox
CAS RN: 191599-62-9

R-2-Hydroxyphenylglycine methyl ester hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250630 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS191599-62-9
  • Purity/Analytical Methods: >99.0%
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191599-62-9 / methyl (2R)-2-amino-2-(2-hydroxyphenyl)acetate;hydrochloride

Standard CAS: 191599-62-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
191599-62-9
Multi CAS
No
Molecular Formula
C9H12ClNO3
Molecular Weight
217.650000
Exact Mass
217.050571
SMILES
COC(=O)[C@@H](C1=CC=CC=C1O)N.Cl
InChI
InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-4-2-3-5-7(6)11;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1
InChIKey
SKYIJDPTQHVHAP-DDWIOCJRSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54.3
TPSA
72.55

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
0.99
Consensus LogP
0.95
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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