5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide
TL;DR: 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide (CAS 1008946-29-9) is a chemical compound with molecular formula C8H12Br2O2S and molecular weight 329.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dibromo-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene 1,1-dioxide
Also Known As: 5,6-dibromooctahydro-1-benzothiophene 1,1-dioxide, 3,4-dibromo-7-thiabicyclo[4.3.0]nonane-7,7-dione, 5,6-dibromooctahydro-1H-1-benzothiophene-1,1-dione, 5,6-DIBROMO-OCTAHYDRO-1??-BENZOTHIOPHENE-1,1-DIONE, 5,6-dibromo-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene 1,1-dioxide
| Molecular Formula | C8H12Br2O2S |
|---|---|
| Molecular Weight | 329.89 g/mol |
| LogP | 2.1105 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 329.8925 |
| Heavy Atoms | 13 |
| Complexity | 301.2659 |
Chemical Identifiers
| CAS Number | 1008946-29-9 |
|---|---|
| SMILES | C1CS(=O)(=O)C2C1CC(C(C2)Br)Br |
Product Overview
5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide (CAS 1008946-29-9), with molecular formula C8H12Br2O2S and molecular weight 329.89 g/mol. IUPAC: 5,6-dibromo-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide
Property Insights of 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide
The XLogP value of 2.1105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 34.14 Ų, 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dibromooctahydro-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 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide?
The CAS number of 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide is 1008946-29-9.
What is the molecular formula of 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide?
The molecular formula of 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide is C8H12Br2O2S.
What is the molecular weight of 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide?
The molecular weight of 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide is 329.89 g/mol.
Where can I buy 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide?
You can request a quote for 5,6-Dibromooctahydro-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 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dibromooctahydro-1-benzothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.