Chloro Fluoro Triazolin-3-one
TL;DR: Chloro Fluoro Triazolin-3-one (CAS 111992-05-3) is a chemical compound with molecular formula C10H7ClF3N3O and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
Also Known As: Chloro Fluoro Triazolin-3-one, 1,8,9-Anthracenetriol,10-phenyl-,triacetate, 2-(4-chloro-2-fluorophenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-Triazol-3-one, 2-(4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-(2-Fluoro-4-chlorophenyl)-3-methyl-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one
| Molecular Formula | C10H7ClF3N3O |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 2.53002 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.02298 |
| Heavy Atoms | 18 |
| Complexity | 650.30286 |
Chemical Identifiers
| CAS Number | 111992-05-3 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C=C2)Cl)F |
Product Overview
Chloro Fluoro Triazolin-3-one (CAS 111992-05-3), with molecular formula C10H7ClF3N3O and molecular weight 277.02 g/mol. IUPAC: 2-(4-chloro-2-fluorophenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of Chloro Fluoro Triazolin-3-one
Property Insights of Chloro Fluoro Triazolin-3-one
The XLogP value of 2.53002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloro Fluoro Triazolin-3-one. With a topological polar surface area (TPSA) of 39.82 Ų, Chloro Fluoro Triazolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloro Fluoro Triazolin-3-one has 0 hydrogen bond donor(s) and 2 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 Chloro Fluoro Triazolin-3-one?
The CAS number of Chloro Fluoro Triazolin-3-one is 111992-05-3.
What is the molecular formula of Chloro Fluoro Triazolin-3-one?
The molecular formula of Chloro Fluoro Triazolin-3-one is C10H7ClF3N3O.
What is the molecular weight of Chloro Fluoro Triazolin-3-one?
The molecular weight of Chloro Fluoro Triazolin-3-one is 277.02 g/mol.
Where can I buy Chloro Fluoro Triazolin-3-one?
You can request a quote for Chloro Fluoro Triazolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloro Fluoro Triazolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for Chloro Fluoro Triazolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.