MCPA-butyl
TL;DR: MCPA-butyl (CAS 1713-12-8) is a chemical compound with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: MCPA-butyl, Yamaclean M, MCPA butyl, MCP butyl ester, MCPA-1-BUTYL ESTER
| Molecular Formula | C13H17ClO3 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 256.0866 |
| Heavy Atoms | 17 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 1713-12-8 |
|---|---|
| SMILES | CCCCOC(=O)COC1=C(C=C(C=C1)Cl)C |
| InChIKey | PKRRSPSPRIGHQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MCPA-butyl (CAS 1713-12-8), with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol. IUPAC: butyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of MCPA-butyl
Property Insights of MCPA-butyl
The XLogP value of 4.1 indicates that MCPA-butyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, MCPA-butyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MCPA-butyl 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-butyl?
The CAS number of MCPA-butyl is 1713-12-8.
What is the molecular formula of MCPA-butyl?
The molecular formula of MCPA-butyl is C13H17ClO3.
What is the molecular weight of MCPA-butyl?
The molecular weight of MCPA-butyl is 256.09 g/mol.
Where can I buy MCPA-butyl?
You can request a quote for MCPA-butyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCPA-butyl?
Yes, KEHONG BIO provides custom synthesis services for MCPA-butyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.