Ethanone, 1-(4-benzoyl-2-thienyl)-
TL;DR: Ethanone, 1-(4-benzoyl-2-thienyl)- (CAS 50460-00-9) is a chemical compound with molecular formula C13H10O2S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzoylthiophen-2-yl)ethanone
Also Known As: Ethanone, 1-(4-benzoyl-2-thienyl)-, 1-(4-benzoylthiophen-2-yl)ethanone, 2-acetyl-4-benzoylthiophene, 2-acetyl-4-(phenylcarbonyl)thiophene, 1-(4-Benzoylthiophen-2-yl)ethan-1-one
| Molecular Formula | C13H10O2S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.04015 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 50460-00-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=CS1)C(=O)C2=CC=CC=C2 |
| InChIKey | QVCRXOJHGYLCPC-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(4-benzoyl-2-thienyl)- (CAS 50460-00-9), with molecular formula C13H10O2S and molecular weight 230.04 g/mol. IUPAC: 1-(4-benzoylthiophen-2-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(4-benzoyl-2-thienyl)-
Property Insights of Ethanone, 1-(4-benzoyl-2-thienyl)-
The XLogP value of 3.0 indicates that Ethanone, 1-(4-benzoyl-2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(4-benzoyl-2-thienyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(4-benzoyl-2-thienyl)- 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 Ethanone, 1-(4-benzoyl-2-thienyl)-?
The CAS number of Ethanone, 1-(4-benzoyl-2-thienyl)- is 50460-00-9.
What is the molecular formula of Ethanone, 1-(4-benzoyl-2-thienyl)-?
The molecular formula of Ethanone, 1-(4-benzoyl-2-thienyl)- is C13H10O2S.
What is the molecular weight of Ethanone, 1-(4-benzoyl-2-thienyl)-?
The molecular weight of Ethanone, 1-(4-benzoyl-2-thienyl)- is 230.04 g/mol.
Where can I buy Ethanone, 1-(4-benzoyl-2-thienyl)-?
You can request a quote for Ethanone, 1-(4-benzoyl-2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(4-benzoyl-2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(4-benzoyl-2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.