Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-
TL;DR: Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- (CAS 147878-13-5) is a chemical compound with molecular formula C17H14N2OS and molecular weight 294.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(5Z)-5-benzylidene-4-phenyl-1,3,4-thiadiazol-2-yl]ethanone
Also Known As: 2-Benzylidene-3-phenyl-5-acetyl-1,3,4-thiadiazoline, BAS 01123213, 1-(4-Phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)ethanone, Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-, 5-acetyl-3-phenyl-2-(phenylmethylene)-1,3,4-thiadiazoline
Technical Specifications
| Molecular Formula | C17H14N2OS |
| Molecular Weight | 294.08267 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.08267 Da |
| Heavy Atoms | 21 |
| Complexity | 446.0 |
| SMILES | CC(=O)C1=NN(/C(=C/C2=CC=CC=C2)/S1)C3=CC=CC=C3 |
| InChIKey | ADFIXTXQLTUUQY-VBKFSLOCSA-N |
Chemical Property Profile of Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-
Property Insights of Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-
The XLogP value of 4.5 indicates that Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-?
The CAS number of Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- is 147878-13-5.
What is the molecular formula of Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-?
The molecular formula of Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- is C17H14N2OS.
What is the molecular weight of Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-?
The molecular weight of Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- is 294.08267 g/mol.
Where can I buy Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-?
You can request a quote for Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)-?
Yes, CoreyChem provides custom synthesis services for Ethanone, 1-(4-phenyl-5-(phenylmethylene)-4,5-dihydro-1,3,4-thiadiazol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.