MCPA-isopropyl
TL;DR: MCPA-isopropyl (CAS 2698-40-0) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: MCPA-isopropyl, MCPA-isopropyl [ISO], MCPA, isopropyl ester, MCPA ISOPROPYL, ISOPROPYL ACETATE
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 2698-40-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OC(C)C |
| InChIKey | BOEYMHRHUPNCAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MCPA-isopropyl (CAS 2698-40-0), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: propan-2-yl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of MCPA-isopropyl
Property Insights of MCPA-isopropyl
The XLogP value of 3.6 indicates that MCPA-isopropyl 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-isopropyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MCPA-isopropyl 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-isopropyl?
The CAS number of MCPA-isopropyl is 2698-40-0.
What is the molecular formula of MCPA-isopropyl?
The molecular formula of MCPA-isopropyl is C12H15ClO3.
What is the molecular weight of MCPA-isopropyl?
The molecular weight of MCPA-isopropyl is 242.07 g/mol.
Where can I buy MCPA-isopropyl?
You can request a quote for MCPA-isopropyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCPA-isopropyl?
Yes, KEHONG BIO provides custom synthesis services for MCPA-isopropyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.