3-(Phenylamino)alanine
TL;DR: 3-(Phenylamino)alanine (CAS 145545-23-9) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-anilinopropanoic acid
Also Known As: 3-Anilinoalanine, 3-Phenylaminoalanine, Paa cpd, 3-(Phenylamino)alanine, UV-5 Compound
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 145545-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC[C@@H](C(=O)O)N |
| InChIKey | HLZOBKHLQBRIJP-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Phenylamino)alanine (CAS 145545-23-9), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: (2S)-2-amino-3-anilinopropanoic acid.
Chemical Property Profile of 3-(Phenylamino)alanine
Property Insights of 3-(Phenylamino)alanine
The XLogP value of -1.1 indicates that 3-(Phenylamino)alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylamino)alanine. Following Lipinski's Rule of Five, 3-(Phenylamino)alanine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Phenylamino)alanine?
The CAS number of 3-(Phenylamino)alanine is 145545-23-9.
What is the molecular formula of 3-(Phenylamino)alanine?
The molecular formula of 3-(Phenylamino)alanine is C9H12N2O2.
What is the molecular weight of 3-(Phenylamino)alanine?
The molecular weight of 3-(Phenylamino)alanine is 180.09 g/mol.
Where can I buy 3-(Phenylamino)alanine?
You can request a quote for 3-(Phenylamino)alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylamino)alanine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylamino)alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.