7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide
TL;DR: 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide (CAS 17514-72-6) is a chemical compound with molecular formula C9H7BrO2S and molecular weight 257.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-bromo-3-methyl-1-benzothiophene 1,1-dioxide
Also Known As: 7-bromo-3-methyl-1-benzothiophene 1,1-dioxide, 7-Bromo-3-methylbenzo[b]thiophene 1,1-Dioxide, Benzo[b]thiophene, 7-bromo-3-methyl-, 1,1-dioxide, AN-278/13643015
| Molecular Formula | C9H7BrO2S |
|---|---|
| Molecular Weight | 257.94 g/mol |
| LogP | 2.5972 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 257.935 |
| Heavy Atoms | 13 |
| Complexity | 500.34604 |
Chemical Identifiers
| CAS Number | 17514-72-6 |
|---|---|
| SMILES | CC1=CS(=O)(=O)C2=C1C=CC=C2Br |
Product Overview
7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide (CAS 17514-72-6), with molecular formula C9H7BrO2S and molecular weight 257.94 g/mol. IUPAC: 7-bromo-3-methyl-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide
Property Insights of 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide
The XLogP value of 2.5972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 34.14 Ų, 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide has 0 hydrogen bond donor(s) and 2 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 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide?
The CAS number of 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide is 17514-72-6.
What is the molecular formula of 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide?
The molecular formula of 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide is C9H7BrO2S.
What is the molecular weight of 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide?
The molecular weight of 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide is 257.94 g/mol.
Where can I buy 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide?
You can request a quote for 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-3-methyl-1-benzothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.