Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
TL;DR: Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate (CAS 196819-89-3) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
Also Known As: Methyl Hydroferulate, methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate, Methyl Dihydroferulate, trans-methylferulate, Dihydro Ferulic Acid Methyl Ester
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 196819-89-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CCC(=O)OC)O |
| InChIKey | PDTCYIZPTRRYOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate (CAS 196819-89-3), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate.
Chemical Property Profile of Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
Property Insights of Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate. With a topological polar surface area (TPSA) of 55.8 Ų, Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate 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-(4-hydroxy-3-methoxyphenyl)propanoate?
The CAS number of Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate is 196819-89-3.
What is the molecular formula of Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate?
The molecular formula of Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate is C11H14O4.
What is the molecular weight of Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate?
The molecular weight of Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate is 210.09 g/mol.
Where can I buy Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate?
You can request a quote for Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.