Brl 26314
TL;DR: Brl 26314 (CAS 838-41-5) is a chemical compound with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(4-chlorophenyl)methylamino]-3-phenylpropanoic acid
Also Known As: Brl 26314, N-(4-Chlorobenzyl)phenylalanine, N-(para-Chlorobenzyl)-L-phenylalanine, n-(4-chlorobenzyl)-l-phenylalanine, (4-chlorobenzyl)-L-phenylalanine
| Molecular Formula | C16H16ClNO2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.08694 |
| Heavy Atoms | 20 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 838-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NCC2=CC=C(C=C2)Cl |
| InChIKey | SAOHCSVJQIAGDD-HNNXBMFYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brl 26314 (CAS 838-41-5), with molecular formula C16H16ClNO2 and molecular weight 289.09 g/mol. IUPAC: (2S)-2-[(4-chlorophenyl)methylamino]-3-phenylpropanoic acid.
Chemical Property Profile of Brl 26314
Property Insights of Brl 26314
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brl 26314. With a topological polar surface area (TPSA) of 49.3 Ų, Brl 26314 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brl 26314 has 2 hydrogen bond donor(s) and 3 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 Brl 26314?
The CAS number of Brl 26314 is 838-41-5.
What is the molecular formula of Brl 26314?
The molecular formula of Brl 26314 is C16H16ClNO2.
What is the molecular weight of Brl 26314?
The molecular weight of Brl 26314 is 289.09 g/mol.
Where can I buy Brl 26314?
You can request a quote for Brl 26314 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brl 26314?
Yes, KEHONG BIO provides custom synthesis services for Brl 26314 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.