(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 238.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Application Areas
Top 5 of 13 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O5 |
| Molecular Weight | 238.08412 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.08412 Da |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=CC(=O)O |
| InChIKey | YTFVRYKNXDADBI-UHFFFAOYSA-N |
Product Description
Applications: (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
(2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid (CAS 90-50-6) is a heterocyclic building block with the molecular formula C12H14O5 and a molecular weight of 238.08 g/mol. Synonyms include 3,4,5-TRIMETHOXYCINNAMIC ACID and o-methylsinapicacid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 238.08412 g/mol.
What are the applications of (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid?
(2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as...
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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-(3,4,5-trimethoxyphenyl)acrylic acid?
Yes, CoreyChem 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.