4H-1-Benzopyran-2-carboxylic acid
TL;DR: 4H-1-Benzopyran-2-carboxylic acid (CAS 67284-21-3) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4H-chromene-2-carboxylic acid
Also Known As: 4H-chromene-2-carboxylic acid, 4H-1-Benzopyran-2-carboxylic acid, Benzopyran-2-carboxylic acid, 4H-chromene-2-carboxylicacid, (1-methylpyridin-1-ium-3-yl) benzenesulfonate,iodide
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.59 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 379.51117 |
Chemical Identifiers
| CAS Number | 67284-21-3 |
|---|---|
| SMILES | C1C=C(OC2=CC=CC=C21)C(=O)O |
Product Overview
4H-1-Benzopyran-2-carboxylic acid (CAS 67284-21-3), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 4H-chromene-2-carboxylic acid.
Chemical Property Profile of 4H-1-Benzopyran-2-carboxylic acid
Property Insights of 4H-1-Benzopyran-2-carboxylic acid
The XLogP value of 1.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1-Benzopyran-2-carboxylic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4H-1-Benzopyran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-2-carboxylic acid has 1 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 4H-1-Benzopyran-2-carboxylic acid?
The CAS number of 4H-1-Benzopyran-2-carboxylic acid is 67284-21-3.
What is the molecular formula of 4H-1-Benzopyran-2-carboxylic acid?
The molecular formula of 4H-1-Benzopyran-2-carboxylic acid is C10H8O3.
What is the molecular weight of 4H-1-Benzopyran-2-carboxylic acid?
The molecular weight of 4H-1-Benzopyran-2-carboxylic acid is 176.05 g/mol.
Where can I buy 4H-1-Benzopyran-2-carboxylic acid?
You can request a quote for 4H-1-Benzopyran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.