Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-
TL;DR: Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- (CAS 4172-78-5) is a chemical compound with molecular formula C19H21ClO2S and molecular weight 348.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-4-(2,4,6-trimethylphenyl)butanoic acid
Also Known As: 4-(4-Chlorophenylthio)-4-(2,4,6-trimethylphenyl)butyric acid, gamma-((4-Chlorophenyl)thio)-2,4,6-trimethylbenzenebutanoic acid, 4-[(4-chlorophenyl)sulfanyl]-4-(2,4,6-trimethylphenyl)butanoic acid, Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-, 4-(4-chlorophenyl)sulfanyl-4-(2,4,6-trimethylphenyl)butanoic acid
| Molecular Formula | C19H21ClO2S |
|---|---|
| Molecular Weight | 348.10 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0951 |
| Heavy Atoms | 23 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 4172-78-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(CCC(=O)O)SC2=CC=C(C=C2)Cl)C |
| InChIKey | JHSLCIONTGOLNH-UHFFFAOYSA-N |
Product Overview
Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- (CAS 4172-78-5), with molecular formula C19H21ClO2S and molecular weight 348.10 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-4-(2,4,6-trimethylphenyl)butanoic acid.
Chemical Property Profile of Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-
Property Insights of Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-
The XLogP value of 5.5 indicates that Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-. Following Lipinski's Rule of Five, Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- 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 Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-?
The CAS number of Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- is 4172-78-5.
What is the molecular formula of Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-?
The molecular formula of Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- is C19H21ClO2S.
What is the molecular weight of Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-?
The molecular weight of Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- is 348.10 g/mol.
Where can I buy Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-?
You can request a quote for Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenebutanoic acid, gamma-((4-chlorophenyl)thio)-2,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.