阿坎酸
TL;DR: 阿坎酸 (CAS 77337-76-9) is a chemical compound with molecular formula C5H11NO4S and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿坎酸
3-acetamidopropane-1-sulfonic acid
Also Known As: Acamprosate, N-Acetylhomotaurine, Acamprosato, Acamprosatum, Campral
| Molecular Formula | C5H11NO4S |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.04088 |
| Heavy Atoms | 11 |
| Complexity | 215.0 |
| Melting Point | >300 |
| Solubility | >5mg/mL |
Chemical Identifiers
| CAS Number | 77337-76-9 |
|---|---|
| SMILES | CC(=O)NCCCS(=O)(=O)O |
| InChIKey | AFCGFAGUEYAMAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿坎酸 (CAS 77337-76-9), with molecular formula C5H11NO4S and molecular weight 181.04 g/mol. IUPAC: 3-acetamidopropane-1-sulfonic acid.
Chemical Property Profile of 阿坎酸
Property Insights of 阿坎酸
The XLogP value of -1.2 indicates that 阿坎酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿坎酸. Following Lipinski's Rule of Five, 阿坎酸 has 2 hydrogen bond donor(s) and 4 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 阿坎酸?
The CAS number of 阿坎酸 is 77337-76-9.
What is the molecular formula of 阿坎酸?
The molecular formula of 阿坎酸 is C5H11NO4S.
What is the molecular weight of 阿坎酸?
The molecular weight of 阿坎酸 is 181.04 g/mol.
Where can I buy 阿坎酸?
You can request a quote for 阿坎酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿坎酸?
Yes, KEHONG BIO provides custom synthesis services for 阿坎酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.