Ethyl m-(p-chlorocinnamoyl)-cinnamate
TL;DR: Ethyl m-(p-chlorocinnamoyl)-cinnamate (CAS 82885-71-0) is a chemical compound with molecular formula C20H17ClO3 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-[3-(4-chlorophenyl)prop-2-enoyl]phenyl]prop-2-enoate
Also Known As: ethyl m-(p-chlorocinnamoyl)-cinnamate, ethyl (E)-3-[3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]prop-2-enoate, Ethyl (E,E)-3-(3-(3-(4-chlorophenyl)-1-oxo-2-propenyl)phenyl)-2-propenoate, 2-Propenoic acid, 3-(3-(3-(4-chlorophenyl)-1-oxo-2-propenyl)phenyl)-, ethyl ester, (E,E)-
| Molecular Formula | C20H17ClO3 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 4.8124 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.0866 |
| Heavy Atoms | 24 |
| Complexity | 773.7259 |
Chemical Identifiers
| CAS Number | 82885-71-0 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC(=CC=C1)C(=O)C=CC2=CC=C(C=C2)Cl |
Product Overview
Ethyl m-(p-chlorocinnamoyl)-cinnamate (CAS 82885-71-0), with molecular formula C20H17ClO3 and molecular weight 340.09 g/mol. IUPAC: ethyl 3-[3-[3-(4-chlorophenyl)prop-2-enoyl]phenyl]prop-2-enoate.
Chemical Property Profile of Ethyl m-(p-chlorocinnamoyl)-cinnamate
Property Insights of Ethyl m-(p-chlorocinnamoyl)-cinnamate
The XLogP value of 4.8124 indicates that Ethyl m-(p-chlorocinnamoyl)-cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl m-(p-chlorocinnamoyl)-cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl m-(p-chlorocinnamoyl)-cinnamate 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 Ethyl m-(p-chlorocinnamoyl)-cinnamate?
The CAS number of Ethyl m-(p-chlorocinnamoyl)-cinnamate is 82885-71-0.
What is the molecular formula of Ethyl m-(p-chlorocinnamoyl)-cinnamate?
The molecular formula of Ethyl m-(p-chlorocinnamoyl)-cinnamate is C20H17ClO3.
What is the molecular weight of Ethyl m-(p-chlorocinnamoyl)-cinnamate?
The molecular weight of Ethyl m-(p-chlorocinnamoyl)-cinnamate is 340.09 g/mol.
Where can I buy Ethyl m-(p-chlorocinnamoyl)-cinnamate?
You can request a quote for Ethyl m-(p-chlorocinnamoyl)-cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl m-(p-chlorocinnamoyl)-cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl m-(p-chlorocinnamoyl)-cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.