![3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid structure](/static/products/2547/254748-99-7.webp)
3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid
TL;DR: 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid (CAS 254748-99-7) is a chemical compound with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid
Also Known As: Maybridge1_007294, 3-[(4-chlorophenyl)thio]-2-methylpropanoic acid, 3-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid, 2-(4-amino-3-nitrobenzoyl)benzoicacid, Propanoic acid,3-[(4-chlorophenyl)thio]-2-methyl-
| Molecular Formula | C10H11ClO2S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 3.1528 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.01683 |
| Heavy Atoms | 14 |
| Complexity | 310.40295 |
Chemical Identifiers
| CAS Number | 254748-99-7 |
|---|---|
| SMILES | CC(CSC1=CC=C(C=C1)Cl)C(=O)O |
Product Overview
3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid (CAS 254748-99-7), with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol. IUPAC: 3-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid.
Chemical Property Profile of 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid
Property Insights of 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid
The XLogP value of 3.1528 indicates that 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid has 1 hydrogen bond donor(s) and 2 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 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid?
The CAS number of 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid is 254748-99-7.
What is the molecular formula of 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid?
The molecular formula of 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid is C10H11ClO2S.
What is the molecular weight of 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid?
The molecular weight of 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid is 230.02 g/mol.
Where can I buy 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid?
You can request a quote for 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorophenyl)thio]-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.