![4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid structure](/static/products/3314/331459-69-9.webp)
4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid
TL;DR: 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid (CAS 331459-69-9) is a chemical compound with molecular formula C20H21ClO3S and molecular weight 376.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfanyl-4-oxobutanoic acid
Also Known As: 4-[4-(tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid, 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfanyl-4-oxobutanoic acid, 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid, 4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)thio]-4-oxobutanoic acid, 2-(4-chlorophenyl)sulfanyl-4-oxo-4-(4-tert-butylphenyl)butanoic Acid
| Molecular Formula | C20H21ClO3S |
|---|---|
| Molecular Weight | 376.09 g/mol |
| LogP | 5.4558 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.09 |
| Heavy Atoms | 25 |
| Complexity | 746.00586 |
Chemical Identifiers
| CAS Number | 331459-69-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)O)SC2=CC=C(C=C2)Cl |
Product Overview
4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid (CAS 331459-69-9), with molecular formula C20H21ClO3S and molecular weight 376.09 g/mol. IUPAC: 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)sulfanyl-4-oxobutanoic acid.
Chemical Property Profile of 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid
Property Insights of 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid
The XLogP value of 5.4558 indicates that 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)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-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid?
The CAS number of 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid is 331459-69-9.
What is the molecular formula of 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid?
The molecular formula of 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid is C20H21ClO3S.
What is the molecular weight of 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid?
The molecular weight of 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid is 376.09 g/mol.
Where can I buy 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid?
You can request a quote for 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)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-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Tert-butyl)phenyl]-2-[(4-chlorophenyl)sulfanyl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.