Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate
TL;DR: Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate (CAS 97966-29-5) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Also Known As: Methyl isoferulate, METHYL 3-(3-HYDROXY-4-METHOXYPHENYL)ACRYLATE, methyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate, Cinnamic acid, 3-hydroxy-4-methoxy-, methyl ester, Methyl (E)-3'-hydroxy-4'-methoxycinnamate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 97966-29-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)OC)O |
| InChIKey | JTLOUXXZZFFBBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate (CAS 97966-29-5), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: methyl 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate
Property Insights of Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate has 1 hydrogen bond donor(s) and 4 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-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate?
The CAS number of Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate is 97966-29-5.
What is the molecular formula of Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate?
The molecular formula of Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate is C11H12O4.
What is the molecular weight of Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate?
The molecular weight of Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate is 208.07 g/mol.
Where can I buy Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate?
You can request a quote for Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.