MCPA-isobutyl
TL;DR: MCPA-isobutyl (CAS 1713-11-7) 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.
2-methylpropyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: MCPA-isobutyl, MCPA, isobutyl ester, MCPA-isobutyl [ISO], Isobutyl 4-chloro-o-tolyloxyacetate, MCPA ISOBUTYL
| 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 | 6 |
| Exact Mass | 256.0866 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 1713-11-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OCC(C)C |
| InChIKey | VETMCNQKJNFMHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MCPA-isobutyl (CAS 1713-11-7), with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol. IUPAC: 2-methylpropyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of MCPA-isobutyl
Property Insights of MCPA-isobutyl
The XLogP value of 4.1 indicates that MCPA-isobutyl 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-isobutyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MCPA-isobutyl 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-isobutyl?
The CAS number of MCPA-isobutyl is 1713-11-7.
What is the molecular formula of MCPA-isobutyl?
The molecular formula of MCPA-isobutyl is C13H17ClO3.
What is the molecular weight of MCPA-isobutyl?
The molecular weight of MCPA-isobutyl is 256.09 g/mol.
Where can I buy MCPA-isobutyl?
You can request a quote for MCPA-isobutyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCPA-isobutyl?
Yes, KEHONG BIO provides custom synthesis services for MCPA-isobutyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.