7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid
TL;DR: 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid (CAS 51786-54-0) is a chemical compound with molecular formula C12H10O5 and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-2,5-dimethyl-4-oxochromene-8-carboxylic acid
Also Known As: 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid, 7-Hydroxy-2,5-dimethyl-4-oxo-4H-chromene-8-carboxylic acid, 4H-1-Benzopyran-8-carboxylic acid, 7-hydroxy-2,5-dimethyl-4-oxo-, 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylicacid, 7-hydroxy-2,5-dimethyl-4-oxochromene-8-carboxylic acid
| Molecular Formula | C12H10O5 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.81364 |
| Topological Polar Surface Area | 87.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.05283 |
| Heavy Atoms | 17 |
| Complexity | 681.33594 |
Chemical Identifiers
| CAS Number | 51786-54-0 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)C=C(O2)C)C(=O)O)O |
Product Overview
7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid (CAS 51786-54-0), with molecular formula C12H10O5 and molecular weight 234.05 g/mol. IUPAC: 7-hydroxy-2,5-dimethyl-4-oxochromene-8-carboxylic acid.
Chemical Property Profile of 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid
Property Insights of 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid
The XLogP value of 1.81364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid. The TPSA of 87.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid. Following Lipinski's Rule of Five, 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid?
The CAS number of 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid is 51786-54-0.
What is the molecular formula of 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid?
The molecular formula of 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid is C12H10O5.
What is the molecular weight of 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid?
The molecular weight of 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid is 234.05 g/mol.
Where can I buy 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid?
You can request a quote for 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-2,5-dimethyl-4-oxo-4H-1-benzopyran-8-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.