2-(4-Bromophenyl)sulfinylacetic acid
TL;DR: 2-(4-Bromophenyl)sulfinylacetic acid (CAS 3996-48-3) is a chemical compound with molecular formula C8H7BrO3S and molecular weight 261.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfinylacetic acid
Also Known As: p-BrC6H4SOCH2COOH, [(4-bromophenyl)sulfinyl]acetic acid, p-Bromphenylsulphoxyessigsaeure, 2-(4-bromophenyl)sulfinylacetic acid, KST-1A4604
| Molecular Formula | C8H7BrO3S |
|---|---|
| Molecular Weight | 261.93 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.92993 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 3996-48-3 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)CC(=O)O)Br |
| InChIKey | DETVCIDATZVWRX-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)sulfinylacetic acid (CAS 3996-48-3), with molecular formula C8H7BrO3S and molecular weight 261.93 g/mol. IUPAC: 2-(4-bromophenyl)sulfinylacetic acid.
Chemical Property Profile of 2-(4-Bromophenyl)sulfinylacetic acid
Property Insights of 2-(4-Bromophenyl)sulfinylacetic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)sulfinylacetic acid. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)sulfinylacetic acid. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)sulfinylacetic acid has 1 hydrogen bond donor(s) and 4 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 2-(4-Bromophenyl)sulfinylacetic acid?
The CAS number of 2-(4-Bromophenyl)sulfinylacetic acid is 3996-48-3.
What is the molecular formula of 2-(4-Bromophenyl)sulfinylacetic acid?
The molecular formula of 2-(4-Bromophenyl)sulfinylacetic acid is C8H7BrO3S.
What is the molecular weight of 2-(4-Bromophenyl)sulfinylacetic acid?
The molecular weight of 2-(4-Bromophenyl)sulfinylacetic acid is 261.93 g/mol.
Where can I buy 2-(4-Bromophenyl)sulfinylacetic acid?
You can request a quote for 2-(4-Bromophenyl)sulfinylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)sulfinylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)sulfinylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.