Ethyl 3,5-dimethoxy-4-hydroxycinnamate
TL;DR: Ethyl 3,5-dimethoxy-4-hydroxycinnamate (CAS 69113-98-0) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Also Known As: ethyl 3,5-dimethoxy-4-hydroxycinnamate, ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate, 3,5-Dimethoxy-4-hydroxycinnamic acid ethyl ester, ethyl 3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate, 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, ethyl ester, (2E)-
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 69113-98-0 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC(=C(C(=C1)OC)O)OC |
| InChIKey | DMQNLOWHFHPWEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,5-dimethoxy-4-hydroxycinnamate (CAS 69113-98-0), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 3,5-dimethoxy-4-hydroxycinnamate
Property Insights of Ethyl 3,5-dimethoxy-4-hydroxycinnamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-dimethoxy-4-hydroxycinnamate. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,5-dimethoxy-4-hydroxycinnamate. Following Lipinski's Rule of Five, Ethyl 3,5-dimethoxy-4-hydroxycinnamate has 1 hydrogen bond donor(s) and 5 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 Ethyl 3,5-dimethoxy-4-hydroxycinnamate?
The CAS number of Ethyl 3,5-dimethoxy-4-hydroxycinnamate is 69113-98-0.
What is the molecular formula of Ethyl 3,5-dimethoxy-4-hydroxycinnamate?
The molecular formula of Ethyl 3,5-dimethoxy-4-hydroxycinnamate is C13H16O5.
What is the molecular weight of Ethyl 3,5-dimethoxy-4-hydroxycinnamate?
The molecular weight of Ethyl 3,5-dimethoxy-4-hydroxycinnamate is 252.10 g/mol.
Where can I buy Ethyl 3,5-dimethoxy-4-hydroxycinnamate?
You can request a quote for Ethyl 3,5-dimethoxy-4-hydroxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,5-dimethoxy-4-hydroxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,5-dimethoxy-4-hydroxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.