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CAS 150145-89-4 (S)-ALPHA-METHYL-4-CARBOXYPHENYLGLYCINE molecular structure lightbox
CAS RN: 150145-89-4

(S)-ALPHA-METHYL-4-CARBOXYPHENYLGLYCINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250504 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS150145-89-4
  • Purity/Analytical Methods: >99.0%
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150145-89-4 / 4-[(1S)-1-amino-1-carboxyethyl]benzoic acid

Standard CAS: 150145-89-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
150145-89-4
Multi CAS
No
Molecular Formula
C10H11NO4
Molecular Weight
209.200000
Exact Mass
209.068808
SMILES
C[C@](C1=CC=C(C=C1)C(=O)O)(C(=O)O)N
InChI
InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
DNCAZYRLRMTVSF-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
52.58
TPSA
100.62

LogP / Solubility

WLOGP
0.64
MLOGP
0.57
XLogP3
-2
Consensus LogP
-0.26
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble

ADME

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)
-3.54

Drug-likeness / Medicinal Chemistry

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

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