C21H18F3N9O2
TL;DR: C21H18F3N9O2 (CAS 862208-72-8) is a chemical compound with molecular formula C21H18F3N9O2 and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(N-methylanilino)methyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-N'-(2-(trifluoromethyl)benzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H18F3N9O2 |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 2.6516 |
| Topological Polar Surface Area | 140.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 485.15356 |
| Heavy Atoms | 35 |
| Complexity | 1349.5867 |
Chemical Identifiers
| CAS Number | 862208-72-8 |
|---|---|
| SMILES | CN(CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=CC=C3C(F)(F)F)C4=CC=CC=C4 |
Product Overview
C21H18F3N9O2 (CAS 862208-72-8), with molecular formula C21H18F3N9O2 and molecular weight 485.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(N-methylanilino)methyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C21H18F3N9O2
Property Insights of C21H18F3N9O2
The XLogP value of 2.6516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H18F3N9O2. The TPSA of 140.35 Ų indicates high polarity, suggesting C21H18F3N9O2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H18F3N9O2 has 2 hydrogen bond donor(s) and 9 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 C21H18F3N9O2?
The CAS number of C21H18F3N9O2 is 862208-72-8.
What is the molecular formula of C21H18F3N9O2?
The molecular formula of C21H18F3N9O2 is C21H18F3N9O2.
What is the molecular weight of C21H18F3N9O2?
The molecular weight of C21H18F3N9O2 is 485.15 g/mol.
Where can I buy C21H18F3N9O2?
You can request a quote for C21H18F3N9O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18F3N9O2?
Yes, KEHONG BIO provides custom synthesis services for C21H18F3N9O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.