1-Heptanesulfonic acid
TL;DR: 1-Heptanesulfonic acid (CAS 60586-80-3) is a chemical compound with molecular formula C7H16O3S and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptane-1-sulfonic acid
Also Known As: 1-Heptanesulfonic acid, heptane-1-sulfonic acid, Heptanesulfonic acid, 1-Heptanesulfonicacid, Heptane-1-sulphonic acid
| Molecular Formula | C7H16O3S |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 180.08202 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 60586-80-3 |
|---|---|
| SMILES | CCCCCCCS(=O)(=O)O |
| InChIKey | AKRQHOWXVSDJEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Heptanesulfonic acid (CAS 60586-80-3), with molecular formula C7H16O3S and molecular weight 180.08 g/mol. IUPAC: heptane-1-sulfonic acid.
Chemical Property Profile of 1-Heptanesulfonic acid
Property Insights of 1-Heptanesulfonic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Heptanesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Heptanesulfonic acid. Following Lipinski's Rule of Five, 1-Heptanesulfonic acid has 1 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 1-Heptanesulfonic acid?
The CAS number of 1-Heptanesulfonic acid is 60586-80-3.
What is the molecular formula of 1-Heptanesulfonic acid?
The molecular formula of 1-Heptanesulfonic acid is C7H16O3S.
What is the molecular weight of 1-Heptanesulfonic acid?
The molecular weight of 1-Heptanesulfonic acid is 180.08 g/mol.
Where can I buy 1-Heptanesulfonic acid?
You can request a quote for 1-Heptanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.