4-Coumaric acid
TL;DR: 4-Coumaric acid (CAS 7400-08-0) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-hydroxyphenyl)prop-2-enoic acid
Also Known As: p-coumaric acid, 4-Coumaric acid, 4-Hydroxycinnamic acid, p-Hydroxy-cinnamic acid, p-Hydroxycinnamic acid
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O3 |
| Molecular Weight | 164.04735 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04735 Da |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
| SMILES | C1=CC(=CC=C1C=CC(=O)O)O |
| InChIKey | NGSWKAQJJWESNS-UHFFFAOYSA-N |
Product Description
Applications: 4-Coumaric 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).
4-Coumaric acid (CAS 7400-08-0) is a pharmaceutical intermediate with the molecular formula C9H8O3 and a molecular weight of 164.05 g/mol. Synonyms include p-coumaric acid and 4-Coumaric 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 4-Coumaric acid
Property Insights of 4-Coumaric acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Coumaric acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Coumaric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Coumaric acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Coumaric acid?
The CAS number of 4-Coumaric acid is 7400-08-0.
What is the molecular formula of 4-Coumaric acid?
The molecular formula of 4-Coumaric acid is C9H8O3.
What is the molecular weight of 4-Coumaric acid?
The molecular weight of 4-Coumaric acid is 164.04735 g/mol.
What are the applications of 4-Coumaric acid?
4-Coumaric 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...
Where can I buy 4-Coumaric acid?
You can request a quote for 4-Coumaric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Coumaric acid?
Yes, CoreyChem provides custom synthesis services for 4-Coumaric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.