1W-0892
TL;DR: 1W-0892 (CAS 861206-40-8) is a chemical compound with molecular formula C17H14ClF3N4O3 and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-one
Also Known As: 1W-0892, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2,4-dimethoxyphenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-one, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(2,4-dimethoxyphenyl)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C17H14ClF3N4O3 |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 3.41602 |
| Topological Polar Surface Area | 71.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.07065 |
| Heavy Atoms | 28 |
| Complexity | 1092.2273 |
Chemical Identifiers
| CAS Number | 861206-40-8 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=C(C=C(C=C2)OC)OC)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1W-0892 (CAS 861206-40-8), with molecular formula C17H14ClF3N4O3 and molecular weight 414.07 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2,4-dimethoxyphenyl)-5-methyl-1,2,4-triazol-3-one.
Chemical Property Profile of 1W-0892
Property Insights of 1W-0892
The XLogP value of 3.41602 indicates that 1W-0892 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1W-0892. Following Lipinski's Rule of Five, 1W-0892 has 0 hydrogen bond donor(s) and 5 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 1W-0892?
The CAS number of 1W-0892 is 861206-40-8.
What is the molecular formula of 1W-0892?
The molecular formula of 1W-0892 is C17H14ClF3N4O3.
What is the molecular weight of 1W-0892?
The molecular weight of 1W-0892 is 414.07 g/mol.
Where can I buy 1W-0892?
You can request a quote for 1W-0892 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1W-0892?
Yes, KEHONG BIO provides custom synthesis services for 1W-0892 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.