1-Butanesulfonic acid, ethyl ester
TL;DR: 1-Butanesulfonic acid, ethyl ester (CAS 2374-68-7) is a chemical compound with molecular formula C6H14O3S and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl butane-1-sulfonate
Also Known As: ethyl butane-1-sulfonate, Ethyl 1-butanesulfonate, 1-Butanesulfonic acid, ethyl ester, Tirofiban Impurity 22, Tirofiban Impurity U
| Molecular Formula | C6H14O3S |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 166.06636 |
| Heavy Atoms | 10 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 2374-68-7 |
|---|---|
| SMILES | CCCCS(=O)(=O)OCC |
| InChIKey | VISYFZOBUOWVCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanesulfonic acid, ethyl ester (CAS 2374-68-7), with molecular formula C6H14O3S and molecular weight 166.07 g/mol. IUPAC: ethyl butane-1-sulfonate.
Chemical Property Profile of 1-Butanesulfonic acid, ethyl ester
Property Insights of 1-Butanesulfonic acid, ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanesulfonic acid, ethyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, 1-Butanesulfonic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanesulfonic acid, ethyl ester has 0 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-Butanesulfonic acid, ethyl ester?
The CAS number of 1-Butanesulfonic acid, ethyl ester is 2374-68-7.
What is the molecular formula of 1-Butanesulfonic acid, ethyl ester?
The molecular formula of 1-Butanesulfonic acid, ethyl ester is C6H14O3S.
What is the molecular weight of 1-Butanesulfonic acid, ethyl ester?
The molecular weight of 1-Butanesulfonic acid, ethyl ester is 166.07 g/mol.
Where can I buy 1-Butanesulfonic acid, ethyl ester?
You can request a quote for 1-Butanesulfonic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanesulfonic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanesulfonic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.