Methyl p-coumarate
TL;DR: Methyl p-coumarate (CAS 3943-97-3) is a chemical compound with molecular formula C10H10O3 and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: Methyl 4-hydroxycinnamate, Methyl p-coumarate, methyl 3-(4-hydroxyphenyl)acrylate, Methyl 4-coumarate, Methyl p-hydroxycinnamate
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 3943-97-3 |
|---|---|
| SMILES | COC(=O)C=CC1=CC=C(C=C1)O |
| InChIKey | NITWSHWHQAQBAW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl p-coumarate (CAS 3943-97-3), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: methyl 3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Methyl p-coumarate
Property Insights of Methyl p-coumarate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl p-coumarate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl p-coumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl p-coumarate has 1 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 Methyl p-coumarate?
The CAS number of Methyl p-coumarate is 3943-97-3.
What is the molecular formula of Methyl p-coumarate?
The molecular formula of Methyl p-coumarate is C10H10O3.
What is the molecular weight of Methyl p-coumarate?
The molecular weight of Methyl p-coumarate is 178.06 g/mol.
Where can I buy Methyl p-coumarate?
You can request a quote for Methyl p-coumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl p-coumarate?
Yes, KEHONG BIO provides custom synthesis services for Methyl p-coumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.