![2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid structure](/static/products/7206/720667-76-5.webp)
2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid
TL;DR: 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid (CAS 720667-76-5) is a chemical compound with molecular formula C18H17BrO4S and molecular weight 408.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfanyl-4-(4-ethoxyphenyl)-4-oxobutanoic acid
Also Known As: 2-[(4-bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid, 2-(4-bromophenyl)sulfanyl-4-(4-ethoxyphenyl)-4-oxobutanoic acid, 2-(4-bromophenylthio)-4-(4-ethoxyphenyl)-4-oxobutanoic acid, 2-(4-bromophenyl)sulfanyl-4-(4-ethoxyphenyl)-4-oxo-butanoic Acid, 2-[(4-bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoicacid
| Molecular Formula | C18H17BrO4S |
|---|---|
| Molecular Weight | 408.00 g/mol |
| LogP | 4.6661 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.00308 |
| Heavy Atoms | 24 |
| Complexity | 697.9636 |
Chemical Identifiers
| CAS Number | 720667-76-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)Br |
Product Overview
2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid (CAS 720667-76-5), with molecular formula C18H17BrO4S and molecular weight 408.00 g/mol. IUPAC: 2-(4-bromophenyl)sulfanyl-4-(4-ethoxyphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid
Property Insights of 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid
The XLogP value of 4.6661 indicates that 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic 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)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid?
The CAS number of 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid is 720667-76-5.
What is the molecular formula of 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid?
The molecular formula of 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid is C18H17BrO4S.
What is the molecular weight of 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid?
The molecular weight of 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid is 408.00 g/mol.
Where can I buy 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid?
You can request a quote for 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-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-ethoxyphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromophenyl)sulfanyl]-4-(4-ethoxyphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.