1-Butanesulfinic acid, methyl ester
TL;DR: 1-Butanesulfinic acid, methyl ester (CAS 673-80-3) is a chemical compound with molecular formula C5H12O2S and molecular weight 136.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl butane-1-sulfinate
Also Known As: methyl butane-1-sulfinate, Methyl butanesulfinate, Methyl 1-butanesulfinate, 1-Butanesulfinic acid, methyl ester, Butane-1-sulfinicacidmethylester
| Molecular Formula | C5H12O2S |
|---|---|
| Molecular Weight | 136.06 g/mol |
| LogP | 1.0966 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 136.0558 |
| Heavy Atoms | 8 |
| Complexity | 72.82892 |
Chemical Identifiers
| CAS Number | 673-80-3 |
|---|---|
| SMILES | CCCCS(=O)OC |
Product Overview
1-Butanesulfinic acid, methyl ester (CAS 673-80-3), with molecular formula C5H12O2S and molecular weight 136.06 g/mol. IUPAC: methyl butane-1-sulfinate.
Chemical Property Profile of 1-Butanesulfinic acid, methyl ester
Property Insights of 1-Butanesulfinic acid, methyl ester
The XLogP value of 1.0966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanesulfinic acid, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Butanesulfinic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanesulfinic acid, methyl ester has 0 hydrogen bond donor(s) and 2 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-Butanesulfinic acid, methyl ester?
The CAS number of 1-Butanesulfinic acid, methyl ester is 673-80-3.
What is the molecular formula of 1-Butanesulfinic acid, methyl ester?
The molecular formula of 1-Butanesulfinic acid, methyl ester is C5H12O2S.
What is the molecular weight of 1-Butanesulfinic acid, methyl ester?
The molecular weight of 1-Butanesulfinic acid, methyl ester is 136.06 g/mol.
Where can I buy 1-Butanesulfinic acid, methyl ester?
You can request a quote for 1-Butanesulfinic 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-Butanesulfinic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanesulfinic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.