3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid
TL;DR: 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid (CAS 142689-06-3) is a chemical compound with molecular formula C12H13FO5 and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
Also Known As: 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid, 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-, 1H-2-Benzopyran-7-carboxylicacid, 5-fluoro-3,4-dihydro-6,8-dihydroxy-3,4-dimethyl-, 5-FLUORO-6,8-DIHYDROXY-3,4-DIMETHYL-3,4-DIHYDRO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 5-fluoro-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
| Molecular Formula | C12H13FO5 |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 1.9573 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0747 |
| Heavy Atoms | 18 |
| Complexity | 525.93445 |
Chemical Identifiers
| CAS Number | 142689-06-3 |
|---|---|
| SMILES | CC1C(OCC2=C1C(=C(C(=C2O)C(=O)O)O)F)C |
Product Overview
3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid (CAS 142689-06-3), with molecular formula C12H13FO5 and molecular weight 256.07 g/mol. IUPAC: 5-fluoro-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid.
Chemical Property Profile of 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid
Property Insights of 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid
The XLogP value of 1.9573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid has 3 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 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid?
The CAS number of 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid is 142689-06-3.
What is the molecular formula of 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid?
The molecular formula of 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid is C12H13FO5.
What is the molecular weight of 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid?
The molecular weight of 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid is 256.07 g/mol.
Where can I buy 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid?
You can request a quote for 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-6,8-dihydroxy-3,4-dimethyl-5-fluoro-1H-2-benzopyran-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.