5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid
TL;DR: 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid (CAS 310452-15-4) is a chemical compound with molecular formula C11H8Br2O4 and molecular weight 361.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
Also Known As: 5,7-dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid, 5,7-DIBROMO-6-METHOXY-3-METHYL-BENZOFURAN-2-CARBOXYLIC ACID, 5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid, 5,7-dibromo-6-methoxy-3-methyl-coumarilic acid, 5,7-bis(bromanyl)-6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid
| Molecular Formula | C11H8Br2O4 |
|---|---|
| Molecular Weight | 361.88 g/mol |
| LogP | 3.97302 |
| Topological Polar Surface Area | 59.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.87894 |
| Heavy Atoms | 17 |
| Complexity | 615.69434 |
Chemical Identifiers
| CAS Number | 310452-15-4 |
|---|---|
| SMILES | CC1=C(OC2=C(C(=C(C=C12)Br)OC)Br)C(=O)O |
Product Overview
5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid (CAS 310452-15-4), with molecular formula C11H8Br2O4 and molecular weight 361.88 g/mol. IUPAC: 5,7-dibromo-6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid
Property Insights of 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid
The XLogP value of 3.97302 indicates that 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.67 Ų, 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid has 1 hydrogen bond donor(s) and 3 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 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid?
The CAS number of 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid is 310452-15-4.
What is the molecular formula of 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid?
The molecular formula of 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid is C11H8Br2O4.
What is the molecular weight of 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid?
The molecular weight of 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid is 361.88 g/mol.
Where can I buy 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid?
You can request a quote for 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dibromo-6-methoxy-3-methyl-2-benzofurancarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.