BRD-K80646665-001-04-6
TL;DR: BRD-K80646665-001-04-6 (CAS 850193-96-3) is a chemical compound with molecular formula C20H18FN9O2 and molecular weight 435.16 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)-N-[(E)-(3-fluorophenyl)methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide
Also Known As: BRD-K80646665-001-04-6, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-fluorobenzylidene)-5-((methyl(phenyl)amino)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-fluorophenyl)methylidene]-5-{[methyl(phenyl)amino]methyl}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide
| Molecular Formula | C20H18FN9O2 |
|---|---|
| Molecular Weight | 435.16 g/mol |
| LogP | 1.7719 |
| Topological Polar Surface Area | 140.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.15674 |
| Heavy Atoms | 32 |
| Complexity | 1252.9612 |
Chemical Identifiers
| CAS Number | 850193-96-3 |
|---|---|
| SMILES | CN(CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC(=CC=C3)F)C4=CC=CC=C4 |
Product Overview
BRD-K80646665-001-04-6 (CAS 850193-96-3), with molecular formula C20H18FN9O2 and molecular weight 435.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-fluorophenyl)methylideneamino]-5-[(N-methylanilino)methyl]triazole-4-carboxamide.
Chemical Property Profile of BRD-K80646665-001-04-6
Property Insights of BRD-K80646665-001-04-6
The XLogP value of 1.7719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BRD-K80646665-001-04-6. The TPSA of 140.35 Ų indicates high polarity, suggesting BRD-K80646665-001-04-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BRD-K80646665-001-04-6 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 BRD-K80646665-001-04-6?
The CAS number of BRD-K80646665-001-04-6 is 850193-96-3.
What is the molecular formula of BRD-K80646665-001-04-6?
The molecular formula of BRD-K80646665-001-04-6 is C20H18FN9O2.
What is the molecular weight of BRD-K80646665-001-04-6?
The molecular weight of BRD-K80646665-001-04-6 is 435.16 g/mol.
Where can I buy BRD-K80646665-001-04-6?
You can request a quote for BRD-K80646665-001-04-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BRD-K80646665-001-04-6?
Yes, KEHONG BIO provides custom synthesis services for BRD-K80646665-001-04-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.