C20H18N10O4
TL;DR: C20H18N10O4 (CAS 877800-92-5) is a chemical compound with molecular formula C20H18N10O4 and molecular weight 462.15 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)-(4-nitrophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((methyl(phenyl)amino)methyl)-N'-(4-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[methyl(phenyl)amino]methyl}-N'-[(E)-(4-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C20H18N10O4 |
|---|---|
| Molecular Weight | 462.15 g/mol |
| LogP | 1.541 |
| Topological Polar Surface Area | 183.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.15125 |
| Heavy Atoms | 34 |
| Complexity | 1331.1603 |
Chemical Identifiers
| CAS Number | 877800-92-5 |
|---|---|
| SMILES | CN(CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
C20H18N10O4 (CAS 877800-92-5), with molecular formula C20H18N10O4 and molecular weight 462.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(N-methylanilino)methyl]-N-[(E)-(4-nitrophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C20H18N10O4
Property Insights of C20H18N10O4
The XLogP value of 1.541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H18N10O4. The TPSA of 183.49 Ų indicates high polarity, suggesting C20H18N10O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H18N10O4 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H18N10O4?
The CAS number of C20H18N10O4 is 877800-92-5.
What is the molecular formula of C20H18N10O4?
The molecular formula of C20H18N10O4 is C20H18N10O4.
What is the molecular weight of C20H18N10O4?
The molecular weight of C20H18N10O4 is 462.15 g/mol.
Where can I buy C20H18N10O4?
You can request a quote for C20H18N10O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H18N10O4?
Yes, KEHONG BIO provides custom synthesis services for C20H18N10O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.