Methyl 3-Coumarate
TL;DR: Methyl 3-Coumarate (CAS 41287-17-6) 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 (E)-3-(3-hydroxyphenyl)prop-2-enoate
Also Known As: Methyl trans-3-Hydroxycinnamate, Methyl 3-Coumarate, m-coumaric methyl ester, m-Cumarsaeure-methylester, Methyl m-hydroxycinnamate
| Molecular Formula | C10H10O3 |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 1.5784 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.06299 |
| Heavy Atoms | 13 |
| Complexity | 328.6967 |
Chemical Identifiers
| CAS Number | 41287-17-6 |
|---|---|
| SMILES | COC(=O)/C=C/C1=CC(=CC=C1)O |
Product Overview
Methyl 3-Coumarate (CAS 41287-17-6), with molecular formula C10H10O3 and molecular weight 178.06 g/mol. IUPAC: methyl (E)-3-(3-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Methyl 3-Coumarate
Property Insights of Methyl 3-Coumarate
The XLogP value of 1.5784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Coumarate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 3-Coumarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-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 3-Coumarate?
The CAS number of Methyl 3-Coumarate is 41287-17-6.
What is the molecular formula of Methyl 3-Coumarate?
The molecular formula of Methyl 3-Coumarate is C10H10O3.
What is the molecular weight of Methyl 3-Coumarate?
The molecular weight of Methyl 3-Coumarate is 178.06 g/mol.
Where can I buy Methyl 3-Coumarate?
You can request a quote for Methyl 3-Coumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-Coumarate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Coumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.