![3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid structure](/static/products/326/326016-04-0.png)
3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid
TL;DR: 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid (CAS 326016-04-0) is a chemical compound with molecular formula C11H11BrO3S and molecular weight 301.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylpropanoic acid
Also Known As: 3-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid, AB01317854-02, 3-[2-(4-bromophenyl)-2-oxoethylthio]propanoic acid, 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylpropanoic acid, 3-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylpropanoic Acid
| Molecular Formula | C11H11BrO3S |
|---|---|
| Molecular Weight | 301.96 g/mol |
| LogP | 2.8397 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.96124 |
| Heavy Atoms | 16 |
| Complexity | 375.32098 |
Chemical Identifiers
| CAS Number | 326016-04-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSCCC(=O)O)Br |
Product Overview
3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid (CAS 326016-04-0), with molecular formula C11H11BrO3S and molecular weight 301.96 g/mol. IUPAC: 3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylpropanoic acid.
Chemical Property Profile of 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid
Property Insights of 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid
The XLogP value of 2.8397 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic 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-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid?
The CAS number of 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid is 326016-04-0.
What is the molecular formula of 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid?
The molecular formula of 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid is C11H11BrO3S.
What is the molecular weight of 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid?
The molecular weight of 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid is 301.96 g/mol.
Where can I buy 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid?
You can request a quote for 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(4-Bromophenyl)-2-oxoethyl]sulfanyl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.