3-Methyl-1-butanesulfonic acid
TL;DR: 3-Methyl-1-butanesulfonic acid (CAS 4239-22-9) 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.
3-methylbutane-1-sulfonic acid
Also Known As: 3-Methyl-1-butanesulfonic acid, isoamylsulfonic acid, 3-methylbutane-1-sulfonic acid, 3-methyl-butane-1-sulfonic acid, 3-Methyl-butan-1-sulfonsaeure
| Molecular Formula | C5H12O3S |
|---|---|
| Molecular Weight | 152.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 152.05072 |
| Heavy Atoms | 9 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 4239-22-9 |
|---|---|
| SMILES | CC(C)CCS(=O)(=O)O |
| InChIKey | HYZYOKHLDUXUQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1-butanesulfonic acid (CAS 4239-22-9), with molecular formula C5H12O3S and molecular weight 152.05 g/mol. IUPAC: 3-methylbutane-1-sulfonic acid.
Chemical Property Profile of 3-Methyl-1-butanesulfonic acid
Property Insights of 3-Methyl-1-butanesulfonic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-butanesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1-butanesulfonic acid. Following Lipinski's Rule of Five, 3-Methyl-1-butanesulfonic acid 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 3-Methyl-1-butanesulfonic acid?
The CAS number of 3-Methyl-1-butanesulfonic acid is 4239-22-9.
What is the molecular formula of 3-Methyl-1-butanesulfonic acid?
The molecular formula of 3-Methyl-1-butanesulfonic acid is C5H12O3S.
What is the molecular weight of 3-Methyl-1-butanesulfonic acid?
The molecular weight of 3-Methyl-1-butanesulfonic acid is 152.05 g/mol.
Where can I buy 3-Methyl-1-butanesulfonic acid?
You can request a quote for 3-Methyl-1-butanesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-butanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-butanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.