2,4-Diacetylthiophene
TL;DR: 2,4-Diacetylthiophene (CAS 22176-00-7) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetylthiophen-2-yl)ethanone
Also Known As: 2,4-Diacetylthiophene, Avatrombopag Impurity 162, 1-(4-acetylthiophen-2-yl)ethanone, 1-(5-Acetyl-thiophen-3-yl)-ethanone, BAS 00044012
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 2.1533 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 270.29562 |
Chemical Identifiers
| CAS Number | 22176-00-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=CS1)C(=O)C |
Product Overview
2,4-Diacetylthiophene (CAS 22176-00-7), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 1-(4-acetylthiophen-2-yl)ethanone.
Chemical Property Profile of 2,4-Diacetylthiophene
Property Insights of 2,4-Diacetylthiophene
The XLogP value of 2.1533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diacetylthiophene. With a topological polar surface area (TPSA) of 34.14 Ų, 2,4-Diacetylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Diacetylthiophene has 0 hydrogen bond donor(s) and 3 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 2,4-Diacetylthiophene?
The CAS number of 2,4-Diacetylthiophene is 22176-00-7.
What is the molecular formula of 2,4-Diacetylthiophene?
The molecular formula of 2,4-Diacetylthiophene is C8H8O2S.
What is the molecular weight of 2,4-Diacetylthiophene?
The molecular weight of 2,4-Diacetylthiophene is 168.02 g/mol.
Where can I buy 2,4-Diacetylthiophene?
You can request a quote for 2,4-Diacetylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diacetylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diacetylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.