2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one
TL;DR: 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one (CAS 57681-63-7) is a chemical compound with molecular formula C6H3Br3OS and molecular weight 359.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dibromo-1-(5-bromothiophen-2-yl)ethanone
Also Known As: 4-Aminoazobenzene, 4-propyl-2-butenolide, 2,2-dibromo-1-(5-bromo-2-thienyl)ethan-1-one, 2,2-dibromo-1-(5-bromothiophen-2-yl)ethanone, 2,2,5-Tribromo-1-(2-thienyl)ethanone
| Molecular Formula | C6H3Br3OS |
|---|---|
| Molecular Weight | 359.75 g/mol |
| LogP | 3.8092 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.74548 |
| Heavy Atoms | 11 |
| Complexity | 268.54605 |
Chemical Identifiers
| CAS Number | 57681-63-7 |
|---|---|
| SMILES | C1=C(SC(=C1)Br)C(=O)C(Br)Br |
Product Overview
2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one (CAS 57681-63-7), with molecular formula C6H3Br3OS and molecular weight 359.75 g/mol. IUPAC: 2,2-dibromo-1-(5-bromothiophen-2-yl)ethanone.
Chemical Property Profile of 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one
Property Insights of 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one
The XLogP value of 3.8092 indicates that 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one 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 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one?
The CAS number of 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one is 57681-63-7.
What is the molecular formula of 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one?
The molecular formula of 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one is C6H3Br3OS.
What is the molecular weight of 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one?
The molecular weight of 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one is 359.75 g/mol.
Where can I buy 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one?
You can request a quote for 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dibromo-1-(5-bromo-2-thienyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.