(S)-Baclofen
TL;DR: (S)-Baclofen (CAS 66514-99-6) 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.
(3S)-4-amino-3-(4-chlorophenyl)butanoic acid
Also Known As: (S)-Baclofen, l-Baclofen, baclofen, d-Baclofen, (+)-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 |
Chemical Identifiers
| CAS Number | 66514-99-6 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@H](CC(=O)O)CN)Cl |
| InChIKey | KPYSYYIEGFHWSV-MRVPVSSYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-Baclofen (CAS 66514-99-6), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: (3S)-4-amino-3-(4-chlorophenyl)butanoic acid.
Chemical Property Profile of (S)-Baclofen
Property Insights of (S)-Baclofen
The XLogP value of -1.0 indicates that (S)-Baclofen 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 (S)-Baclofen. Following Lipinski's Rule of Five, (S)-Baclofen 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 (S)-Baclofen?
The CAS number of (S)-Baclofen is 66514-99-6.
What is the molecular formula of (S)-Baclofen?
The molecular formula of (S)-Baclofen is C10H12ClNO2.
What is the molecular weight of (S)-Baclofen?
The molecular weight of (S)-Baclofen is 213.06 g/mol.
Where can I buy (S)-Baclofen?
You can request a quote for (S)-Baclofen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Baclofen?
Yes, KEHONG BIO provides custom synthesis services for (S)-Baclofen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.