Coumarinic acid
TL;DR: Coumarinic acid (CAS 495-79-4) is a chemical compound with molecular formula C9H8O3 and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
Also Known As: Coumarinic acid, 2-Coumarinate, cis-o-Coumaric acid, Cumarinsaure, cis-o-Hydroxycinnamic acid
| Molecular Formula | C9H8O3 |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 1.49 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04735 |
| Heavy Atoms | 12 |
| Complexity | 315.30463 |
Chemical Identifiers
| CAS Number | 495-79-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\C(=O)O)O |
Product Overview
Coumarinic acid (CAS 495-79-4), with molecular formula C9H8O3 and molecular weight 164.05 g/mol. IUPAC: (Z)-3-(2-hydroxyphenyl)prop-2-enoic acid.
Chemical Property Profile of Coumarinic acid
Property Insights of Coumarinic acid
The XLogP value of 1.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarinic acid. With a topological polar surface area (TPSA) of 57.53 Ų, Coumarinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarinic acid has 2 hydrogen bond donor(s) and 2 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 Coumarinic acid?
The CAS number of Coumarinic acid is 495-79-4.
What is the molecular formula of Coumarinic acid?
The molecular formula of Coumarinic acid is C9H8O3.
What is the molecular weight of Coumarinic acid?
The molecular weight of Coumarinic acid is 164.05 g/mol.
Where can I buy Coumarinic acid?
You can request a quote for Coumarinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarinic acid?
Yes, KEHONG BIO provides custom synthesis services for Coumarinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.