2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid
TL;DR: 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid (CAS 140400-37-9) is a chemical compound with molecular formula C11H13ClO2S and molecular weight 244.03249 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)sulfanyl-3-methylbutanoic acid
Also Known As: Butanoic acid, 2-[(4-chlorophenyl)thio]-3-methyl-, 2-(4-chlorophenyl)sulfanyl-3-methyl-butanoic Acid
Technical Specifications
| Molecular Formula | C11H13ClO2S |
| Molecular Weight | 244.03249 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.03249 Da |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| SMILES | CC(C)C(C(=O)O)SC1=CC=C(C=C1)Cl |
| InChIKey | RVIYQKPOFIBAJM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid
Property Insights of 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid
The XLogP value of 4.0 indicates that 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid 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 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic 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
What is the CAS number of 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid?
The CAS number of 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid is 140400-37-9.
What is the molecular formula of 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid?
The molecular formula of 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid is C11H13ClO2S.
What is the molecular weight of 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid?
The molecular weight of 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid is 244.03249 g/mol.
Where can I buy 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid?
You can request a quote for 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(4-Chlorophenyl)sulfanyl-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.