![1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one structure](/static/products/4100/410090-76-5.webp)
1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one
TL;DR: 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one (CAS 410090-76-5) is a chemical compound with molecular formula C11H13BrO3S2 and molecular weight 335.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one
Also Known As: Maybridge1_004797, KM 03791, 1-bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one, 1-bromo-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one, 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-6,7-dihydrobenzo[c]thiophen-4(5H)-one
| Molecular Formula | C11H13BrO3S2 |
|---|---|
| Molecular Weight | 335.95 g/mol |
| LogP | 3.0692 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.94894 |
| Heavy Atoms | 17 |
| Complexity | 596.4779 |
Chemical Identifiers
| CAS Number | 410090-76-5 |
|---|---|
| SMILES | CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)Br)C |
Product Overview
1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one (CAS 410090-76-5), with molecular formula C11H13BrO3S2 and molecular weight 335.95 g/mol. IUPAC: 1-bromo-6,6-dimethyl-3-methylsulfonyl-5,7-dihydro-2-benzothiophen-4-one.
Chemical Property Profile of 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one
Property Insights of 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one
The XLogP value of 3.0692 indicates that 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one has 0 hydrogen bond donor(s) and 4 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 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
The CAS number of 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one is 410090-76-5.
What is the molecular formula of 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
The molecular formula of 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one is C11H13BrO3S2.
What is the molecular weight of 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
The molecular weight of 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one is 335.95 g/mol.
Where can I buy 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
You can request a quote for 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-6,6-dimethyl-3-(methylsulfonyl)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.