1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone
TL;DR: 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone (CAS 21978-76-7) is a chemical compound with molecular formula C22H19N3O and molecular weight 341.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3,4-triphenyl-3H-1,2,4-triazol-5-yl)ethanone
Also Known As: 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone, 1-(2,3,4-triphenyl-3H-1,2,4-triazol-5-yl)ethanone
| Molecular Formula | C22H19N3O |
|---|---|
| Molecular Weight | 341.15 g/mol |
| LogP | 4.6145 |
| Topological Polar Surface Area | 35.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.1528 |
| Heavy Atoms | 26 |
| Complexity | 923.3757 |
Chemical Identifiers
| CAS Number | 21978-76-7 |
|---|---|
| SMILES | CC(=O)C1=NN(C(N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone (CAS 21978-76-7), with molecular formula C22H19N3O and molecular weight 341.15 g/mol. IUPAC: 1-(2,3,4-triphenyl-3H-1,2,4-triazol-5-yl)ethanone.
Chemical Property Profile of 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone
Property Insights of 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone
The XLogP value of 4.6145 indicates that 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.91 Ų, 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone?
The CAS number of 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone is 21978-76-7.
What is the molecular formula of 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone?
The molecular formula of 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone is C22H19N3O.
What is the molecular weight of 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone?
The molecular weight of 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone is 341.15 g/mol.
Where can I buy 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone?
You can request a quote for 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,4,5-triphenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.