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3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid
TL;DR: 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid (CAS 1637-40-7) is a chemical compound with molecular formula C10H7BrO2S and molecular weight 269.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-7-methyl-1-benzothiophene-2-carboxylic acid
Also Known As: 3-Bromo-7-methyl-1-benzothiophene-2-carboxylic acid, 3-Bromo-7-methylbenzo(b)thiophene-2-carboxylic acid, 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid, J1.426.603H, 3-Bromo-7-methyl-1-benzothiophene-2-carboxylic acid #
| Molecular Formula | C10H7BrO2S |
|---|---|
| Molecular Weight | 269.94 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 269.935 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 1637-40-7 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C(S2)C(=O)O)Br |
| InChIKey | BVTFKHLGSMHOEC-UHFFFAOYSA-N |
Product Overview
3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid (CAS 1637-40-7), with molecular formula C10H7BrO2S and molecular weight 269.94 g/mol. IUPAC: 3-bromo-7-methyl-1-benzothiophene-2-carboxylic acid.
Chemical Property Profile of 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid
Property Insights of 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid
The XLogP value of 3.9 indicates that 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic 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 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid?
The CAS number of 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid is 1637-40-7.
What is the molecular formula of 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid?
The molecular formula of 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid is C10H7BrO2S.
What is the molecular weight of 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid?
The molecular weight of 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid is 269.94 g/mol.
Where can I buy 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid?
You can request a quote for 3-Bromo-7-methylbenzo[b]thiophene-2-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-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-7-methylbenzo[b]thiophene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.