![2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid structure](/static/products/3290/329080-00-4.webp)
2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid
TL;DR: 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid (CAS 329080-00-4) is a chemical compound with molecular formula C16H12BrClO3S and molecular weight 397.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-4-oxobutanoic acid
Also Known As: TimTec1_001318, 2-[(4-bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid, 2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-4-oxobutanoic acid, AA-768/37210001, BRD-A27794897-001-01-8
| Molecular Formula | C16H12BrClO3S |
|---|---|
| Molecular Weight | 397.94 g/mol |
| LogP | 4.9208 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.9379 |
| Heavy Atoms | 22 |
| Complexity | 670.7952 |
Chemical Identifiers
| CAS Number | 329080-00-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(C(=O)O)SC2=CC=C(C=C2)Br)Cl |
Product Overview
2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid (CAS 329080-00-4), with molecular formula C16H12BrClO3S and molecular weight 397.94 g/mol. IUPAC: 2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-4-oxobutanoic acid.
Chemical Property Profile of 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid
Property Insights of 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid
The XLogP value of 4.9208 indicates that 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic 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 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid?
The CAS number of 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid is 329080-00-4.
What is the molecular formula of 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid?
The molecular formula of 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid is C16H12BrClO3S.
What is the molecular weight of 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid?
The molecular weight of 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid is 397.94 g/mol.
Where can I buy 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid?
You can request a quote for 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic 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)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromophenyl)sulfanyl]-4-(4-chlorophenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.