3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid
TL;DR: 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid (CAS 142689-12-1) is a chemical compound with molecular formula C13H13F3O5 and molecular weight 306.0715 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
Also Known As: 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid, 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-, 6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid, 1H-2-Benzopyran-7-carboxylicacid, 3,4-dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-, 6,8-DIHYDROXY-3,5-DIMETHYL-4-(TRIFLUOROMETHYL)-3,4-DIHYDRO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C13H13F3O5 |
| Molecular Weight | 306.0715 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.0715 Da |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
| SMILES | CC1C(C2=C(C(=C(C(=C2CO1)O)C(=O)O)O)C)C(F)(F)F |
| InChIKey | MUKRQAAIHBJBEK-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid
Property Insights of 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid
The XLogP value of 3.2 indicates that 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid?
The CAS number of 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid is 142689-12-1.
What is the molecular formula of 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid?
The molecular formula of 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid is C13H13F3O5.
What is the molecular weight of 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid?
The molecular weight of 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid is 306.0715 g/mol.
Where can I buy 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid?
You can request a quote for 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.