1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-
TL;DR: 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- (CAS 142689-04-1) is a chemical compound with molecular formula C12H10ClF3O5 and molecular weight 326.01688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
Also Known As: 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-, 1H-2-Benzopyran-7-carboxylicacid, 5-chloro-3,4-dihydro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-, 5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid, 1H-2-Benzopyran-7-carboxylic acid,3,4-dihydro-5-chloro-6,8-dihydroxy-3,4-dimethyl, 5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)isochroman-7-carboxylic Acid
Technical Specifications
| Molecular Formula | C12H10ClF3O5 |
| Molecular Weight | 326.01688 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.01688 Da |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
| SMILES | CC1C(C2=C(CO1)C(=C(C(=C2Cl)O)C(=O)O)O)C(F)(F)F |
| InChIKey | QUPKMBKINJJUIW-UHFFFAOYSA-N |
Chemical Property Profile of 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-
Property Insights of 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-
The XLogP value of 3.5 indicates that 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- 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 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-. Following Lipinski's Rule of Five, 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- 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 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-?
The CAS number of 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- is 142689-04-1.
What is the molecular formula of 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-?
The molecular formula of 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- is C12H10ClF3O5.
What is the molecular weight of 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-?
The molecular weight of 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- is 326.01688 g/mol.
Where can I buy 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-?
You can request a quote for 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-methyl-4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.