1W-0957
TL;DR: 1W-0957 (CAS 861206-72-6) is a chemical compound with molecular formula C16H9ClF6N4O and molecular weight 422.04 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]-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
Also Known As: 1W-0957, 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C16H9ClF6N4O |
|---|---|
| Molecular Weight | 422.04 g/mol |
| LogP | 4.41762 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 422.0369 |
| Heavy Atoms | 28 |
| Complexity | 1099.7346 |
Chemical Identifiers
| CAS Number | 861206-72-6 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
1W-0957 (CAS 861206-72-6), with molecular formula C16H9ClF6N4O and molecular weight 422.04 g/mol. IUPAC: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 1W-0957
Property Insights of 1W-0957
The XLogP value of 4.41762 indicates that 1W-0957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, 1W-0957 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1W-0957 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 1W-0957?
The CAS number of 1W-0957 is 861206-72-6.
What is the molecular formula of 1W-0957?
The molecular formula of 1W-0957 is C16H9ClF6N4O.
What is the molecular weight of 1W-0957?
The molecular weight of 1W-0957 is 422.04 g/mol.
Where can I buy 1W-0957?
You can request a quote for 1W-0957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1W-0957?
Yes, KEHONG BIO provides custom synthesis services for 1W-0957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.