1-戊磺酸乙酯
TL;DR: 1-戊磺酸乙酯 (CAS 91284-44-5) 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.
1-戊磺酸乙酯
ethyl pentane-1-sulfonate
Also Known As: ethyl pentane-1-sulfonate, Ethyl 1-pentanesulfonate, 1-Pentanesulfonic acid, ethyl ester
| Molecular Formula | C7H16O3S |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 180.08202 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 91284-44-5 |
|---|---|
| SMILES | CCCCCS(=O)(=O)OCC |
| InChIKey | NPBFHQWDTHHBMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-戊磺酸乙酯 (CAS 91284-44-5), with molecular formula C7H16O3S and molecular weight 180.08 g/mol. IUPAC: ethyl pentane-1-sulfonate.
Chemical Property Profile of 1-戊磺酸乙酯
Property Insights of 1-戊磺酸乙酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-戊磺酸乙酯. With a topological polar surface area (TPSA) of 51.8 Ų, 1-戊磺酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-戊磺酸乙酯 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-戊磺酸乙酯?
The CAS number of 1-戊磺酸乙酯 is 91284-44-5.
What is the molecular formula of 1-戊磺酸乙酯?
The molecular formula of 1-戊磺酸乙酯 is C7H16O3S.
What is the molecular weight of 1-戊磺酸乙酯?
The molecular weight of 1-戊磺酸乙酯 is 180.08 g/mol.
Where can I buy 1-戊磺酸乙酯?
You can request a quote for 1-戊磺酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-戊磺酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 1-戊磺酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.