貝可芬
TL;DR: 貝可芬 (CAS 1134-47-0) 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.
貝可芬
4-amino-3-(4-chlorophenyl)butanoic acid
Also Known As: baclofen, Lioresal, Kemstro, Baclon, DL-Baclofen
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | -1.0 |
| 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 |
| Melting Point | 372 to 191.1 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 1134-47-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(=O)O)CN)Cl |
| InChIKey | KPYSYYIEGFHWSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
貝可芬 (CAS 1134-47-0), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: 4-amino-3-(4-chlorophenyl)butanoic acid.
Chemical Property Profile of 貝可芬
Property Insights of 貝可芬
The XLogP value of -1.0 indicates that 貝可芬 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 貝可芬. Following Lipinski's Rule of Five, 貝可芬 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 貝可芬?
The CAS number of 貝可芬 is 1134-47-0.
What is the molecular formula of 貝可芬?
The molecular formula of 貝可芬 is C10H12ClNO2.
What is the molecular weight of 貝可芬?
The molecular weight of 貝可芬 is 213.06 g/mol.
Where can I buy 貝可芬?
You can request a quote for 貝可芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 貝可芬?
Yes, KEHONG BIO provides custom synthesis services for 貝可芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.