6-Acetyl-2,3-dibromobenzo(b)thiophene
TL;DR: 6-Acetyl-2,3-dibromobenzo(b)thiophene (CAS 6179-22-2) is a chemical compound with molecular formula C10H6Br2OS and molecular weight 331.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dibromo-1-benzothiophen-6-yl)ethanone
Also Known As: 6-Acetyl-2,3-dibromobenzo(b)thiophene, 6-Acetyl-2,3-dibromobenzo[b]thiophene, 6-Acetyl-2,3-dibromo-1-benzothiophene, Ethanone, 1-(2,3-dibromobenzo[b]thien-6-yl)-, J1.429.453H
| Molecular Formula | C10H6Br2OS |
|---|---|
| Molecular Weight | 331.85 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.85062 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 6179-22-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)C(=C(S2)Br)Br |
| InChIKey | KPCCJQXVAJZZHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Acetyl-2,3-dibromobenzo(b)thiophene (CAS 6179-22-2), with molecular formula C10H6Br2OS and molecular weight 331.85 g/mol. IUPAC: 1-(2,3-dibromo-1-benzothiophen-6-yl)ethanone.
Chemical Property Profile of 6-Acetyl-2,3-dibromobenzo(b)thiophene
Property Insights of 6-Acetyl-2,3-dibromobenzo(b)thiophene
The XLogP value of 4.3 indicates that 6-Acetyl-2,3-dibromobenzo(b)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 6-Acetyl-2,3-dibromobenzo(b)thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetyl-2,3-dibromobenzo(b)thiophene 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 6-Acetyl-2,3-dibromobenzo(b)thiophene?
The CAS number of 6-Acetyl-2,3-dibromobenzo(b)thiophene is 6179-22-2.
What is the molecular formula of 6-Acetyl-2,3-dibromobenzo(b)thiophene?
The molecular formula of 6-Acetyl-2,3-dibromobenzo(b)thiophene is C10H6Br2OS.
What is the molecular weight of 6-Acetyl-2,3-dibromobenzo(b)thiophene?
The molecular weight of 6-Acetyl-2,3-dibromobenzo(b)thiophene is 331.85 g/mol.
Where can I buy 6-Acetyl-2,3-dibromobenzo(b)thiophene?
You can request a quote for 6-Acetyl-2,3-dibromobenzo(b)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetyl-2,3-dibromobenzo(b)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetyl-2,3-dibromobenzo(b)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.