3-Carboxy-4-chlorophenylalanine
TL;DR: 3-Carboxy-4-chlorophenylalanine (CAS 13406-46-7) is a chemical compound with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-amino-2-carboxyethyl)-2-chlorobenzoic acid
Also Known As: 3-carboxy-4-chlorophenylalanine, Phenylalanine, 3-carboxy-4-chloro-, DL-alpha-Amino-3-carboxy-4-chlorohydrocinnamic acid, Hydrocinnamic acid, alpha-amino-3-carboxy-4-chloro-, DL-, 5-(2-amino-3-hydroxy-3-oxopropyl)-2-chlorobenzoic acid
| Molecular Formula | C10H10ClNO4 |
|---|---|
| Molecular Weight | 243.03 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.02983 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 13406-46-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(C(=O)O)N)C(=O)O)Cl |
| InChIKey | CZQFEVBWZSZLCJ-UHFFFAOYSA-N |
Product Overview
3-Carboxy-4-chlorophenylalanine (CAS 13406-46-7), with molecular formula C10H10ClNO4 and molecular weight 243.03 g/mol. IUPAC: 5-(2-amino-2-carboxyethyl)-2-chlorobenzoic acid.
Chemical Property Profile of 3-Carboxy-4-chlorophenylalanine
Property Insights of 3-Carboxy-4-chlorophenylalanine
The XLogP value of -1.9 indicates that 3-Carboxy-4-chlorophenylalanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-4-chlorophenylalanine. Following Lipinski's Rule of Five, 3-Carboxy-4-chlorophenylalanine has 3 hydrogen bond donor(s) and 5 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-Carboxy-4-chlorophenylalanine?
The CAS number of 3-Carboxy-4-chlorophenylalanine is 13406-46-7.
What is the molecular formula of 3-Carboxy-4-chlorophenylalanine?
The molecular formula of 3-Carboxy-4-chlorophenylalanine is C10H10ClNO4.
What is the molecular weight of 3-Carboxy-4-chlorophenylalanine?
The molecular weight of 3-Carboxy-4-chlorophenylalanine is 243.03 g/mol.
Where can I buy 3-Carboxy-4-chlorophenylalanine?
You can request a quote for 3-Carboxy-4-chlorophenylalanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxy-4-chlorophenylalanine?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-4-chlorophenylalanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.