3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid
TL;DR: 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid (CAS 125124-66-5) is a chemical compound with molecular formula C11H8O7 and molecular weight 252.02701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,8-dihydroxy-4-methoxy-2-oxochromene-5-carboxylic acid
Also Known As: 3,8-Dhmcc, 3,8-dihydroxy-4-methoxy-2-oxochromene-5-carboxylic acid, 3,8-Dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid, 3,8-Dihydroxy-4-methoxy-2-oxo-2H-1-benzopyran-5-carboxylic acid, 2H-1-Benzopyran-5-carboxylicacid, 3,8-dihydroxy-4-methoxy-2-oxo-
Technical Specifications
| Molecular Formula | C11H8O7 |
| Molecular Weight | 252.02701 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.02701 Da |
| Heavy Atoms | 18 |
| Complexity | 414.0 |
| SMILES | COC1=C(C(=O)OC2=C(C=CC(=C21)C(=O)O)O)O |
| InChIKey | ZWHGKGZEJKYFFJ-UHFFFAOYSA-N |
Chemical Property Profile of 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid
Property Insights of 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid. Following Lipinski's Rule of Five, 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid?
The CAS number of 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid is 125124-66-5.
What is the molecular formula of 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid?
The molecular formula of 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid is C11H8O7.
What is the molecular weight of 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid?
The molecular weight of 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid is 252.02701 g/mol.
Where can I buy 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid?
You can request a quote for 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3,8-dihydroxy-4-methoxy-2-oxo-2-H-1-benzopyran-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.