2-((4-氯苯基)硫代)-2-甲基丙酸
TL;DR: 2-((4-氯苯基)硫代)-2-甲基丙酸 (CAS 17413-74-0) 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.
2-((4-氯苯基)硫代)-2-甲基丙酸
2-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid
Also Known As: alpha-(p-Chlorophenylthio)isobutyric acid, ISOBUTYRIC ACID, alpha-(p-CHLOROPHENYLTHIO)-, Acetic acid, (p-chlorophenylthio)dimethyl-, p-chlorophenylmercaptoisobutyric acid, 2-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid
| Molecular Formula | C10H11ClO2S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.01683 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 17413-74-0 |
|---|---|
| SMILES | CC(C)(C(=O)O)SC1=CC=C(C=C1)Cl |
| InChIKey | GUOJPBXXOMDAGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-氯苯基)硫代)-2-甲基丙酸 (CAS 17413-74-0), with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-2-methylpropanoic acid.
Chemical Property Profile of 2-((4-氯苯基)硫代)-2-甲基丙酸
Property Insights of 2-((4-氯苯基)硫代)-2-甲基丙酸
The XLogP value of 3.2 indicates that 2-((4-氯苯基)硫代)-2-甲基丙酸 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-氯苯基)硫代)-2-甲基丙酸. Following Lipinski's Rule of Five, 2-((4-氯苯基)硫代)-2-甲基丙酸 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 2-((4-氯苯基)硫代)-2-甲基丙酸?
The CAS number of 2-((4-氯苯基)硫代)-2-甲基丙酸 is 17413-74-0.
What is the molecular formula of 2-((4-氯苯基)硫代)-2-甲基丙酸?
The molecular formula of 2-((4-氯苯基)硫代)-2-甲基丙酸 is C10H11ClO2S.
What is the molecular weight of 2-((4-氯苯基)硫代)-2-甲基丙酸?
The molecular weight of 2-((4-氯苯基)硫代)-2-甲基丙酸 is 230.02 g/mol.
Where can I buy 2-((4-氯苯基)硫代)-2-甲基丙酸?
You can request a quote for 2-((4-氯苯基)硫代)-2-甲基丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-氯苯基)硫代)-2-甲基丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-氯苯基)硫代)-2-甲基丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.