3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid
TL;DR: 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid (CAS 331-39-5) is a chemical compound with molecular formula C9H8O4 and molecular weight 180.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,4-dihydroxyphenyl)prop-2-enoic acid
Also Known As: caffeic acid, 3,4-Dihydroxycinnamic acid, trans-caffeic acid, Caffeicacid, Caffeoyl alcohol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O4 |
| Molecular Weight | 180.04225 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | C1=CC(=C(C=C1C=CC(=O)O)O)O |
| InChIKey | QAIPRVGONGVQAS-UHFFFAOYSA-N |
Product Description
Applications: 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. 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).
3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid is a pharmaceutical intermediate identified by CAS number 331-39-5 and the molecular formula C9H8O4 and a molecular weight of 180.04 g/mol. Synonyms include caffeic acid and 3,4-Dihydroxycinnamic acid.
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 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid
Property Insights of 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid. Following Lipinski's Rule of Five, 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid?
The CAS number of 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid is 331-39-5.
What is the molecular formula of 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid?
The molecular formula of 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid is C9H8O4.
What is the molecular weight of 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid?
The molecular weight of 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid is 180.04225 g/mol.
What are the applications of 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid?
3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid?
You can request a quote for 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.