![4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid structure](/static/products/868/868255-45-2.png)
4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid
TL;DR: 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid (CAS 868255-45-2) is a chemical compound with molecular formula C17H15BrO3S and molecular weight 377.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-(4-methylphenyl)sulfanyl-4-oxobutanoic acid
Also Known As: 4-(4-bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid, 4-(4-bromophenyl)-2-(4-methylphenyl)sulfanyl-4-oxobutanoic acid, 4-(4-bromophenyl)-4-oxo-2-(p-tolylsulfanyl)butanoic acid, 4-(4-bromophenyl)-2-(4-methylphenyl)sulfanyl-4-oxo-butanoic Acid, 4-(4-bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoicacid
| Molecular Formula | C17H15BrO3S |
|---|---|
| Molecular Weight | 377.99 g/mol |
| LogP | 4.57582 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.99252 |
| Heavy Atoms | 22 |
| Complexity | 665.30835 |
Chemical Identifiers
| CAS Number | 868255-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O |
Product Overview
4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid (CAS 868255-45-2), with molecular formula C17H15BrO3S and molecular weight 377.99 g/mol. IUPAC: 4-(4-bromophenyl)-2-(4-methylphenyl)sulfanyl-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid
Property Insights of 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid
The XLogP value of 4.57582 indicates that 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-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, 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-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 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid?
The CAS number of 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid is 868255-45-2.
What is the molecular formula of 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid?
The molecular formula of 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid is C17H15BrO3S.
What is the molecular weight of 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid?
The molecular weight of 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid is 377.99 g/mol.
Where can I buy 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid?
You can request a quote for 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-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 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-2-[(4-methylphenyl)sulfanyl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.