3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid (CAS 5422-74-2) is a chemical compound with molecular formula C14H16O6 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid
Also Known As: 3-(3,4-dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid, (Z)-3-(3,4-dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic aci, 3-(3,4-dimethoxyphenyl)-2-(ethoxycarbonyl)prop-2-enoic acid
| Molecular Formula | C14H16O6 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 280.0947 |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 5422-74-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC(=C(C=C1)OC)OC)C(=O)O |
| InChIKey | IIRKMLGWDNHZQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid (CAS 5422-74-2), with molecular formula C14H16O6 and molecular weight 280.09 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid has 1 hydrogen bond donor(s) and 6 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 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid is 5422-74-2.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid is C14H16O6.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid is 280.09 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-ethoxycarbonylprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.