MCPB-ethyl
TL;DR: MCPB-ethyl (CAS 10443-70-6) 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.
ethyl 4-(4-chloro-2-methylphenoxy)butanoate
Also Known As: MCPB-ethyl, MCPB-ethyl ester, MCPB ethyl, MCPB ethyl ester, MCPBE
| Molecular Formula | C13H17ClO3 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 4.3 |
| 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 | 10443-70-6 |
|---|---|
| SMILES | CCOC(=O)CCCOC1=C(C=C(C=C1)Cl)C |
| InChIKey | XNKARWLGLZGMGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MCPB-ethyl (CAS 10443-70-6), with molecular formula C13H17ClO3 and molecular weight 256.09 g/mol. IUPAC: ethyl 4-(4-chloro-2-methylphenoxy)butanoate.
Chemical Property Profile of MCPB-ethyl
Property Insights of MCPB-ethyl
The XLogP value of 4.3 indicates that MCPB-ethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, MCPB-ethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MCPB-ethyl 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 MCPB-ethyl?
The CAS number of MCPB-ethyl is 10443-70-6.
What is the molecular formula of MCPB-ethyl?
The molecular formula of MCPB-ethyl is C13H17ClO3.
What is the molecular weight of MCPB-ethyl?
The molecular weight of MCPB-ethyl is 256.09 g/mol.
Where can I buy MCPB-ethyl?
You can request a quote for MCPB-ethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCPB-ethyl?
Yes, KEHONG BIO provides custom synthesis services for MCPB-ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.