2-Acetyl-3-bromothiophene
TL;DR: 2-Acetyl-3-bromothiophene (CAS 42877-08-7) is a chemical compound with molecular formula C6H5BrOS and molecular weight 203.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromothiophen-2-yl)ethanone
Also Known As: 2-Acetyl-3-bromothiophene, 1-(3-bromothiophen-2-yl)ethanone, 2-Acetyl-3-boromothiophene, Ethyl diacetylacetate, BROMOTHIENYLETHANONE
| Molecular Formula | C6H5BrOS |
|---|---|
| Molecular Weight | 203.92 g/mol |
| LogP | 2.7132 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.92445 |
| Heavy Atoms | 9 |
| Complexity | 228.71666 |
Chemical Identifiers
| CAS Number | 42877-08-7 |
|---|---|
| SMILES | CC(=O)C1=C(C=CS1)Br |
Product Overview
2-Acetyl-3-bromothiophene (CAS 42877-08-7), with molecular formula C6H5BrOS and molecular weight 203.92 g/mol. IUPAC: 1-(3-bromothiophen-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-3-bromothiophene
Property Insights of 2-Acetyl-3-bromothiophene
The XLogP value of 2.7132 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3-bromothiophene. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Acetyl-3-bromothiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3-bromothiophene 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-Acetyl-3-bromothiophene?
The CAS number of 2-Acetyl-3-bromothiophene is 42877-08-7.
What is the molecular formula of 2-Acetyl-3-bromothiophene?
The molecular formula of 2-Acetyl-3-bromothiophene is C6H5BrOS.
What is the molecular weight of 2-Acetyl-3-bromothiophene?
The molecular weight of 2-Acetyl-3-bromothiophene is 203.92 g/mol.
Where can I buy 2-Acetyl-3-bromothiophene?
You can request a quote for 2-Acetyl-3-bromothiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3-bromothiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3-bromothiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.