1-辛烷磺酸
TL;DR: 1-辛烷磺酸 (CAS 3944-72-7) is a chemical compound with molecular formula C8H18O3S and molecular weight 194.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-辛烷磺酸
octane-1-sulfonic acid
Also Known As: octane-1-sulfonic acid, 1-Octanesulfonic acid, Octanesulphonic acid, octanesulfonic acid, octylsulfonic acid
| Molecular Formula | C8H18O3S |
|---|---|
| Molecular Weight | 194.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 194.09767 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 3944-72-7 |
|---|---|
| SMILES | CCCCCCCCS(=O)(=O)O |
| InChIKey | WLGDAKIJYPIYLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-辛烷磺酸 (CAS 3944-72-7), with molecular formula C8H18O3S and molecular weight 194.10 g/mol. IUPAC: octane-1-sulfonic acid.
Chemical Property Profile of 1-辛烷磺酸
Property Insights of 1-辛烷磺酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-辛烷磺酸. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-辛烷磺酸. Following Lipinski's Rule of Five, 1-辛烷磺酸 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-辛烷磺酸?
The CAS number of 1-辛烷磺酸 is 3944-72-7.
What is the molecular formula of 1-辛烷磺酸?
The molecular formula of 1-辛烷磺酸 is C8H18O3S.
What is the molecular weight of 1-辛烷磺酸?
The molecular weight of 1-辛烷磺酸 is 194.10 g/mol.
Where can I buy 1-辛烷磺酸?
You can request a quote for 1-辛烷磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-辛烷磺酸?
Yes, KEHONG BIO provides custom synthesis services for 1-辛烷磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.