1-Butanesulfonic acid, methyl ester
TL;DR: 1-Butanesulfonic acid, methyl ester (CAS 2374-69-8) is a chemical compound with molecular formula C5H12O3S and molecular weight 152.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl butane-1-sulfonate
Also Known As: methyl butane-1-sulfonate, Methyl butanesulfonate, Methyl 1-butanesulfonate, 1-Butanesulfonic acid, methyl ester, Tirofiban Impurity 27
| Molecular Formula | C5H12O3S |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 152.05072 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 2374-69-8 |
|---|---|
| SMILES | CCCCS(=O)(=O)OC |
| InChIKey | ZAXQRWRRNPKBNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanesulfonic acid, methyl ester (CAS 2374-69-8), with molecular formula C5H12O3S and molecular weight 152.05 g/mol. IUPAC: methyl butane-1-sulfonate.
Chemical Property Profile of 1-Butanesulfonic acid, methyl ester
Property Insights of 1-Butanesulfonic acid, methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanesulfonic acid, methyl ester. With a topological polar surface area (TPSA) of 51.8 Ų, 1-Butanesulfonic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanesulfonic acid, methyl 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, methyl ester?
The CAS number of 1-Butanesulfonic acid, methyl ester is 2374-69-8.
What is the molecular formula of 1-Butanesulfonic acid, methyl ester?
The molecular formula of 1-Butanesulfonic acid, methyl ester is C5H12O3S.
What is the molecular weight of 1-Butanesulfonic acid, methyl ester?
The molecular weight of 1-Butanesulfonic acid, methyl ester is 152.05 g/mol.
Where can I buy 1-Butanesulfonic acid, methyl ester?
You can request a quote for 1-Butanesulfonic acid, methyl 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, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanesulfonic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.