Acamprosate calcium
TL;DR: Acamprosate calcium (CAS 77337-73-6) is a chemical compound with molecular formula C10H22CaN2O8S2 and molecular weight 402.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Acamprosate calcium, 337A736, IUPAC: 3-acetamidopropane-1-sulfonic Acid; Calcium
| Molecular Formula | C10H22CaN2O8S2 |
|---|---|
| Molecular Weight | 402.04 g/mol |
| LogP | -1.58 |
| Topological Polar Surface Area | 166.94 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.04434 |
| Heavy Atoms | 23 |
| Complexity | 497.20825 |
Chemical Identifiers
| CAS Number | 77337-73-6 |
|---|---|
| SMILES | CC(=O)NCCCS(=O)(=O)O.CC(=O)NCCCS(=O)(=O)O.[Ca] |
Product Overview
Acamprosate calcium (CAS 77337-73-6), with molecular formula C10H22CaN2O8S2 and molecular weight 402.04 g/mol.
Chemical Property Profile of Acamprosate calcium
Property Insights of Acamprosate calcium
The XLogP value of -1.58 indicates that Acamprosate calcium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.94 Ų indicates high polarity, suggesting Acamprosate calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acamprosate calcium has 4 hydrogen bond donor(s) and 6 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 Acamprosate calcium?
The CAS number of Acamprosate calcium is 77337-73-6.
What is the molecular formula of Acamprosate calcium?
The molecular formula of Acamprosate calcium is C10H22CaN2O8S2.
What is the molecular weight of Acamprosate calcium?
The molecular weight of Acamprosate calcium is 402.04 g/mol.
Where can I buy Acamprosate calcium?
You can request a quote for Acamprosate calcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acamprosate calcium?
Yes, KEHONG BIO provides custom synthesis services for Acamprosate calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.