7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid
TL;DR: 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid (CAS 36051-91-9) 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-methoxy-4-methyl-2-oxochromene-6-carboxylic acid
Also Known As: 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid, AP-383/40724380, 7-methoxy-4-methyl-2-oxochromene-6-carboxylic acid, 7-methoxy-4-methyl-2-oxo-2H-chromene-6-carboxylic acid
| Molecular Formula | C12H10O5 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.80822 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.05283 |
| Heavy Atoms | 17 |
| Complexity | 653.72894 |
Chemical Identifiers
| CAS Number | 36051-91-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)C(=O)O)OC |
Product Overview
7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid (CAS 36051-91-9), with molecular formula C12H10O5 and molecular weight 234.05 g/mol. IUPAC: 7-methoxy-4-methyl-2-oxochromene-6-carboxylic acid.
Chemical Property Profile of 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid
Property Insights of 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid
The XLogP value of 1.80822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid. Following Lipinski's Rule of Five, 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid has 1 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-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid?
The CAS number of 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid is 36051-91-9.
What is the molecular formula of 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid?
The molecular formula of 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid is C12H10O5.
What is the molecular weight of 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid?
The molecular weight of 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid is 234.05 g/mol.
Where can I buy 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid?
You can request a quote for 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-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-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-Methoxy-4-methyl-2-oxo-2H-1-benzopyran-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.