CAS RN: 134052-73-6
(S)-4-CARBOXYPHENYLGLYCINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS134052-73-6
- Purity/Analytical Methods: >99.0%
134052-73-6 / 4-[(S)-amino(carboxy)methyl]benzoic acid
Basic Information
CAS
134052-73-6
Multi CAS
No
Molecular Formula
C9H9NO4
Molecular Weight
195.170000
Exact Mass
195.053158
SMILES
C1=CC(=CC=C1[C@@H](C(=O)O)N)C(=O)O
InChI
InChI=1S/C9H9NO4/c10-7(9(13)14)5-1-3-6(4-2-5)8(11)12/h1-4,7H,10H2,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKey
VTMJKPGFERYGJF-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
47.97
TPSA
100.62
LogP / Solubility
WLOGP
0.47
MLOGP
0.41
XLogP3
-2.2
Consensus LogP
-0.44
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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