6N-051
TL;DR: 6N-051 (CAS 400085-70-3) is a chemical compound with molecular formula C14H8ClF3N4O2 and molecular weight 356.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-5-one
Also Known As: 6N-051, 4-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-1H-1,2,4-triazol-5-one, 4-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one, 4-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-2H-1,2,4-triazol-3-one
| Molecular Formula | C14H8ClF3N4O2 |
|---|---|
| Molecular Weight | 356.03 g/mol |
| LogP | 3.4201 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.02878 |
| Heavy Atoms | 24 |
| Complexity | 918.7593 |
Chemical Identifiers
| CAS Number | 400085-70-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=NNC2=O)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
6N-051 (CAS 400085-70-3), with molecular formula C14H8ClF3N4O2 and molecular weight 356.03 g/mol. IUPAC: 4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 6N-051
Property Insights of 6N-051
The XLogP value of 3.4201 indicates that 6N-051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6N-051. Following Lipinski's Rule of Five, 6N-051 has 1 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 6N-051?
The CAS number of 6N-051 is 400085-70-3.
What is the molecular formula of 6N-051?
The molecular formula of 6N-051 is C14H8ClF3N4O2.
What is the molecular weight of 6N-051?
The molecular weight of 6N-051 is 356.03 g/mol.
Where can I buy 6N-051?
You can request a quote for 6N-051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6N-051?
Yes, KEHONG BIO provides custom synthesis services for 6N-051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.