Methyl p-chlorocinnamate
TL;DR: Methyl p-chlorocinnamate (CAS 79486-60-5) is a chemical compound with molecular formula C10H9ClO2 and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(4-chlorophenyl)prop-2-enoate
Also Known As: Methyl 4-chlorocinnamate, Methyl 3-(4-chlorophenyl)acrylate, Methyl p-chlorocinnamate, 4-Chlorocinnamic Acid Methyl Ester, Baclofen Impurity 37
| Molecular Formula | C10H9ClO2 |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 2.5262 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.02911 |
| Heavy Atoms | 13 |
| Complexity | 314.20157 |
Chemical Identifiers
| CAS Number | 79486-60-5 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC=C(C=C1)Cl |
Product Overview
Methyl p-chlorocinnamate (CAS 79486-60-5), with molecular formula C10H9ClO2 and molecular weight 196.03 g/mol. IUPAC: methyl (E)-3-(4-chlorophenyl)prop-2-enoate.
Chemical Property Profile of Methyl p-chlorocinnamate
Property Insights of Methyl p-chlorocinnamate
The XLogP value of 2.5262 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl p-chlorocinnamate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl p-chlorocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl p-chlorocinnamate has 0 hydrogen bond donor(s) and 2 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 Methyl p-chlorocinnamate?
The CAS number of Methyl p-chlorocinnamate is 79486-60-5.
What is the molecular formula of Methyl p-chlorocinnamate?
The molecular formula of Methyl p-chlorocinnamate is C10H9ClO2.
What is the molecular weight of Methyl p-chlorocinnamate?
The molecular weight of Methyl p-chlorocinnamate is 196.03 g/mol.
Where can I buy Methyl p-chlorocinnamate?
You can request a quote for Methyl p-chlorocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl p-chlorocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl p-chlorocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.