4-Bromo-1-butanesulfonic acid
TL;DR: 4-Bromo-1-butanesulfonic acid (CAS 7762-89-2) is a chemical compound with molecular formula C4H9BrO3S and molecular weight 215.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromobutane-1-sulfonic acid
Also Known As: 4-Bromo-1-butanesulfonic acid, 4-bromobutane-1-sulfonic acid, 1-Butanesulfonic acid, 4-bromo-
| Molecular Formula | C4H9BrO3S |
|---|---|
| Molecular Weight | 215.95 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 215.94559 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 7762-89-2 |
|---|---|
| SMILES | C(CCBr)CS(=O)(=O)O |
| InChIKey | VYQMBDQMIHMOFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-butanesulfonic acid (CAS 7762-89-2), with molecular formula C4H9BrO3S and molecular weight 215.95 g/mol. IUPAC: 4-bromobutane-1-sulfonic acid.
Chemical Property Profile of 4-Bromo-1-butanesulfonic acid
Property Insights of 4-Bromo-1-butanesulfonic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-butanesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-1-butanesulfonic acid. Following Lipinski's Rule of Five, 4-Bromo-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 4-Bromo-1-butanesulfonic acid?
The CAS number of 4-Bromo-1-butanesulfonic acid is 7762-89-2.
What is the molecular formula of 4-Bromo-1-butanesulfonic acid?
The molecular formula of 4-Bromo-1-butanesulfonic acid is C4H9BrO3S.
What is the molecular weight of 4-Bromo-1-butanesulfonic acid?
The molecular weight of 4-Bromo-1-butanesulfonic acid is 215.95 g/mol.
Where can I buy 4-Bromo-1-butanesulfonic acid?
You can request a quote for 4-Bromo-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 4-Bromo-1-butanesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-butanesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.