p-Chlorophenylalanine methyl ester hydrochloride
TL;DR: p-Chlorophenylalanine methyl ester hydrochloride (CAS 14173-40-1) is a chemical compound with molecular formula C10H13Cl2NO2 and molecular weight 249.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
Also Known As: PCPA hydrochloride, DL-Pcpa methyl ester hydrochloride, H-DL-Phe(4-Cl)-OMe.HCl, Phenylalanine, 4-chloro-, methyl ester, hydrochloride, p-Chlorophenylalanine methyl ester hydrochloride
| Molecular Formula | C10H13Cl2NO2 |
|---|---|
| Molecular Weight | 249.03 g/mol |
| LogP | -2.33 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.03233 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 14173-40-1 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)Cl)[NH3+].[Cl-] |
| InChIKey | GCBCWTWQAFLKJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Chlorophenylalanine methyl ester hydrochloride (CAS 14173-40-1), with molecular formula C10H13Cl2NO2 and molecular weight 249.03 g/mol. IUPAC: [3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]azanium chloride.
Chemical Property Profile of p-Chlorophenylalanine methyl ester hydrochloride
Property Insights of p-Chlorophenylalanine methyl ester hydrochloride
The XLogP value of -2.33 indicates that p-Chlorophenylalanine methyl ester hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.9 Ų, p-Chlorophenylalanine methyl ester hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Chlorophenylalanine methyl ester hydrochloride has 1 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 p-Chlorophenylalanine methyl ester hydrochloride?
The CAS number of p-Chlorophenylalanine methyl ester hydrochloride is 14173-40-1.
What is the molecular formula of p-Chlorophenylalanine methyl ester hydrochloride?
The molecular formula of p-Chlorophenylalanine methyl ester hydrochloride is C10H13Cl2NO2.
What is the molecular weight of p-Chlorophenylalanine methyl ester hydrochloride?
The molecular weight of p-Chlorophenylalanine methyl ester hydrochloride is 249.03 g/mol.
Where can I buy p-Chlorophenylalanine methyl ester hydrochloride?
You can request a quote for p-Chlorophenylalanine methyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Chlorophenylalanine methyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for p-Chlorophenylalanine methyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.