N-Chlorophenylalanine
TL;DR: N-Chlorophenylalanine (CAS 4786-51-0) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(chloroamino)-3-phenylpropanoic acid
Also Known As: N-Chlorophenylalanine, n-chloro-l-phenylalanine, chlorophenylalanine, L-phenylalanine, N-chloro-, L-Phenylalanine chloramine
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 4786-51-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)NCl |
| InChIKey | XCKUCSJNPYTMAE-QMMMGPOBSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Chlorophenylalanine (CAS 4786-51-0), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: (2S)-2-(chloroamino)-3-phenylpropanoic acid.
Chemical Property Profile of N-Chlorophenylalanine
Property Insights of N-Chlorophenylalanine
The XLogP value of -0.6 indicates that N-Chlorophenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, N-Chlorophenylalanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Chlorophenylalanine 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 N-Chlorophenylalanine?
The CAS number of N-Chlorophenylalanine is 4786-51-0.
What is the molecular formula of N-Chlorophenylalanine?
The molecular formula of N-Chlorophenylalanine is C9H10ClNO2.
What is the molecular weight of N-Chlorophenylalanine?
The molecular weight of N-Chlorophenylalanine is 199.04 g/mol.
Where can I buy N-Chlorophenylalanine?
You can request a quote for N-Chlorophenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Chlorophenylalanine?
Yes, KEHONG BIO provides custom synthesis services for N-Chlorophenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.