MCPA-thioethyl
TL;DR: MCPA-thioethyl (CAS 25319-90-8) is a chemical compound with molecular formula C11H13ClO2S and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate
Also Known As: MCPA-thioethyl, Herbit, Tripion CB, Zero one, Fenobit
| Molecular Formula | C11H13ClO2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.03249 |
| Heavy Atoms | 15 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 25319-90-8 |
|---|---|
| SMILES | CCSC(=O)COC1=C(C=C(C=C1)Cl)C |
| InChIKey | AZFKQCNGMSSWDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MCPA-thioethyl (CAS 25319-90-8), with molecular formula C11H13ClO2S and molecular weight 244.03 g/mol. IUPAC: S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate.
Chemical Property Profile of MCPA-thioethyl
Property Insights of MCPA-thioethyl
The XLogP value of 3.7 indicates that MCPA-thioethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, MCPA-thioethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MCPA-thioethyl has 0 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 MCPA-thioethyl?
The CAS number of MCPA-thioethyl is 25319-90-8.
What is the molecular formula of MCPA-thioethyl?
The molecular formula of MCPA-thioethyl is C11H13ClO2S.
What is the molecular weight of MCPA-thioethyl?
The molecular weight of MCPA-thioethyl is 244.03 g/mol.
Where can I buy MCPA-thioethyl?
You can request a quote for MCPA-thioethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCPA-thioethyl?
Yes, KEHONG BIO provides custom synthesis services for MCPA-thioethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.