4-氯苯丙氨酸甲酯
TL;DR: 4-氯苯丙氨酸甲酯 (CAS 23434-96-0) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯苯丙氨酸甲酯
methyl 2-amino-3-(4-chlorophenyl)propanoate
Also Known As: Methyl 2-amino-3-(4-chlorophenyl)propanoate, p-Chlorophenylalanine methyl ester, Phenylalanine, 4-chloro-, methyl ester, 4-Chlorophenylalanine methyl ester, Methyl 4-chloro-3-phenylalaninate
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 23434-96-0 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)Cl)N |
| InChIKey | FBHPVOLRIXZZMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯苯丙氨酸甲酯 (CAS 23434-96-0), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: methyl 2-amino-3-(4-chlorophenyl)propanoate.
Chemical Property Profile of 4-氯苯丙氨酸甲酯
Property Insights of 4-氯苯丙氨酸甲酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯苯丙氨酸甲酯. With a topological polar surface area (TPSA) of 52.3 Ų, 4-氯苯丙氨酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氯苯丙氨酸甲酯 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 4-氯苯丙氨酸甲酯?
The CAS number of 4-氯苯丙氨酸甲酯 is 23434-96-0.
What is the molecular formula of 4-氯苯丙氨酸甲酯?
The molecular formula of 4-氯苯丙氨酸甲酯 is C10H12ClNO2.
What is the molecular weight of 4-氯苯丙氨酸甲酯?
The molecular weight of 4-氯苯丙氨酸甲酯 is 213.06 g/mol.
Where can I buy 4-氯苯丙氨酸甲酯?
You can request a quote for 4-氯苯丙氨酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯苯丙氨酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氯苯丙氨酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.