1-Hexanesulfonic acid, 2-ethyl-
TL;DR: 1-Hexanesulfonic acid, 2-ethyl- (CAS 56008-29-8) 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.
2-ethylhexane-1-sulfonic acid
Also Known As: 2-Ethylhexysulphate, 2-ethylhexane-1-sulfonic acid, 1-Hexanesulfonic acid, 2-ethyl-, 2-Ethyl-1-hexanesulfonic acid, 1-Hexanesulfonic acid,2-ethyl-
| Molecular Formula | C8H18O3S |
|---|---|
| Molecular Weight | 194.10 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.09767 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 56008-29-8 |
|---|---|
| SMILES | CCCCC(CC)CS(=O)(=O)O |
| InChIKey | DHIXFTVGHROZHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hexanesulfonic acid, 2-ethyl- (CAS 56008-29-8), with molecular formula C8H18O3S and molecular weight 194.10 g/mol. IUPAC: 2-ethylhexane-1-sulfonic acid.
Chemical Property Profile of 1-Hexanesulfonic acid, 2-ethyl-
Property Insights of 1-Hexanesulfonic acid, 2-ethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexanesulfonic acid, 2-ethyl-. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Hexanesulfonic acid, 2-ethyl-. Following Lipinski's Rule of Five, 1-Hexanesulfonic acid, 2-ethyl- 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-Hexanesulfonic acid, 2-ethyl-?
The CAS number of 1-Hexanesulfonic acid, 2-ethyl- is 56008-29-8.
What is the molecular formula of 1-Hexanesulfonic acid, 2-ethyl-?
The molecular formula of 1-Hexanesulfonic acid, 2-ethyl- is C8H18O3S.
What is the molecular weight of 1-Hexanesulfonic acid, 2-ethyl-?
The molecular weight of 1-Hexanesulfonic acid, 2-ethyl- is 194.10 g/mol.
Where can I buy 1-Hexanesulfonic acid, 2-ethyl-?
You can request a quote for 1-Hexanesulfonic acid, 2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexanesulfonic acid, 2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexanesulfonic acid, 2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.