2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone
TL;DR: 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone (CAS 727386-82-5) is a chemical compound with molecular formula C10H6Cl2FN3O and molecular weight 272.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone
Also Known As: 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone, BAS 10852414, 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone, AP-853/43260896, 2-(3,5-Dichloro-[1,2,4]triazol-1-yl)-1-(4-fluoro-phenyl)-ethanone
| Molecular Formula | C10H6Cl2FN3O |
|---|---|
| Molecular Weight | 272.99 g/mol |
| LogP | 2.6069 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.98718 |
| Heavy Atoms | 17 |
| Complexity | 553.1787 |
Chemical Identifiers
| CAS Number | 727386-82-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CN2C(=NC(=N2)Cl)Cl)F |
Product Overview
2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone (CAS 727386-82-5), with molecular formula C10H6Cl2FN3O and molecular weight 272.99 g/mol. IUPAC: 2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone
Property Insights of 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone
The XLogP value of 2.6069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone. With a topological polar surface area (TPSA) of 47.78 Ų, 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone 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-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone?
The CAS number of 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone is 727386-82-5.
What is the molecular formula of 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone?
The molecular formula of 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone is C10H6Cl2FN3O.
What is the molecular weight of 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone?
The molecular weight of 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone is 272.99 g/mol.
Where can I buy 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone?
You can request a quote for 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-dichloro-1H-1,2,4-triazol-1-yl)-1-(4-fluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.