3-Bromo-1lambda6-benzothiophene-1,1-dione
TL;DR: 3-Bromo-1lambda6-benzothiophene-1,1-dione (CAS 16957-97-4) is a chemical compound with molecular formula C8H5BrO2S and molecular weight 243.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-1-benzothiophene 1,1-dioxide
Also Known As: 3-Bromobenzothiophene 1,1-Dioxide, 3-bromo-1-benzothiophene 1,1-dioxide, 3-Bromobenzothiophene sulfone, 3-Bromobenzothiophene1,1-Dioxide, 3-Bromo-1lambda6-benzothiophene-1,1-dione
| Molecular Formula | C8H5BrO2S |
|---|---|
| Molecular Weight | 243.92 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.91936 |
| Heavy Atoms | 12 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 16957-97-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CS2(=O)=O)Br |
| InChIKey | BWCBGYFBSVPRLL-UHFFFAOYSA-N |
Product Overview
3-Bromo-1lambda6-benzothiophene-1,1-dione (CAS 16957-97-4), with molecular formula C8H5BrO2S and molecular weight 243.92 g/mol. IUPAC: 3-bromo-1-benzothiophene 1,1-dioxide.
Chemical Property Profile of 3-Bromo-1lambda6-benzothiophene-1,1-dione
Property Insights of 3-Bromo-1lambda6-benzothiophene-1,1-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1lambda6-benzothiophene-1,1-dione. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Bromo-1lambda6-benzothiophene-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1lambda6-benzothiophene-1,1-dione 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 3-Bromo-1lambda6-benzothiophene-1,1-dione?
The CAS number of 3-Bromo-1lambda6-benzothiophene-1,1-dione is 16957-97-4.
What is the molecular formula of 3-Bromo-1lambda6-benzothiophene-1,1-dione?
The molecular formula of 3-Bromo-1lambda6-benzothiophene-1,1-dione is C8H5BrO2S.
What is the molecular weight of 3-Bromo-1lambda6-benzothiophene-1,1-dione?
The molecular weight of 3-Bromo-1lambda6-benzothiophene-1,1-dione is 243.92 g/mol.
Where can I buy 3-Bromo-1lambda6-benzothiophene-1,1-dione?
You can request a quote for 3-Bromo-1lambda6-benzothiophene-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1lambda6-benzothiophene-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1lambda6-benzothiophene-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.