2-(4-氯苯基)-4-氨基丁酸
TL;DR: 2-(4-氯苯基)-4-氨基丁酸 (CAS 120418-68-0) 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.
2-(4-氯苯基)-4-氨基丁酸
4-amino-2-(4-chlorophenyl)butanoic acid
Also Known As: 2-Pcp-GABA, 4-amino-2-(4-chlorophenyl)butanoic acid, 2-(4-Chlorophenyl)-4-aminobutyric acid, CGS 24012, p-chlorophenyl gamma-aminobutyric acid
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 120418-68-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CCN)C(=O)O)Cl |
| InChIKey | YSUNOHPTERXNIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-氯苯基)-4-氨基丁酸 (CAS 120418-68-0), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: 4-amino-2-(4-chlorophenyl)butanoic acid.
Chemical Property Profile of 2-(4-氯苯基)-4-氨基丁酸
Property Insights of 2-(4-氯苯基)-4-氨基丁酸
The XLogP value of -0.8 indicates that 2-(4-氯苯基)-4-氨基丁酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-氯苯基)-4-氨基丁酸. Following Lipinski's Rule of Five, 2-(4-氯苯基)-4-氨基丁酸 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 2-(4-氯苯基)-4-氨基丁酸?
The CAS number of 2-(4-氯苯基)-4-氨基丁酸 is 120418-68-0.
What is the molecular formula of 2-(4-氯苯基)-4-氨基丁酸?
The molecular formula of 2-(4-氯苯基)-4-氨基丁酸 is C10H12ClNO2.
What is the molecular weight of 2-(4-氯苯基)-4-氨基丁酸?
The molecular weight of 2-(4-氯苯基)-4-氨基丁酸 is 213.06 g/mol.
Where can I buy 2-(4-氯苯基)-4-氨基丁酸?
You can request a quote for 2-(4-氯苯基)-4-氨基丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-氯苯基)-4-氨基丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-氯苯基)-4-氨基丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.