3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid
TL;DR: 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid (CAS 142689-08-5) is a chemical compound with molecular formula C12H13BrO5 and molecular weight 315.99463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
Also Known As: 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid, 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-, 1H-2-Benzopyran-7-carboxylicacid, 5-bromo-3,4-dihydro-6,8-dihydroxy-3,4-dimethyl-, 5-BROMO-6,8-DIHYDROXY-3,4-DIMETHYL-3,4-DIHYDRO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID, 5-bromo-6,8-dihydroxy-3,4-dimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid
Technical Specifications
| Molecular Formula | C12H13BrO5 |
| Molecular Weight | 315.99463 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 315.99463 Da |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
| SMILES | CC1C(OCC2=C1C(=C(C(=C2O)C(=O)O)O)Br)C |
| InChIKey | VNFUSBUNIJELSC-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid
Property Insights of 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid
The XLogP value of 3.0 indicates that 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-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-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid has 3 hydrogen bond donor(s) and 5 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-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid?
The CAS number of 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid is 142689-08-5.
What is the molecular formula of 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid?
The molecular formula of 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid is C12H13BrO5.
What is the molecular weight of 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid?
The molecular weight of 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid is 315.99463 g/mol.
Where can I buy 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid?
You can request a quote for 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-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-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydro-5-bromo-6,8-dihydroxy-3,4-dimethyl-1H-2-benzopyran-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.