(2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid
TL;DR: (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid (CAS 90-50-6) is a chemical compound with molecular formula C12H14O5 and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
Also Known As: 3,4,5-TRIMETHOXYCINNAMIC ACID, o-methylsinapicacid, O-Methylsinapic acid, Cinepazide Impurity G, Spectrum2_001955
| Molecular Formula | C12H14O5 |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.08412 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 90-50-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)O |
| InChIKey | YTFVRYKNXDADBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid (CAS 90-50-6), with molecular formula C12H14O5 and molecular weight 238.08 g/mol. IUPAC: 3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid
Property Insights of (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid. Following Lipinski's Rule of Five, (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid 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 (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid?
The CAS number of (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid is 90-50-6.
What is the molecular formula of (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid?
The molecular formula of (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid is C12H14O5.
What is the molecular weight of (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid?
The molecular weight of (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid is 238.08 g/mol.
Where can I buy (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid?
You can request a quote for (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.