C21H18Cl2N8O4
TL;DR: C21H18Cl2N8O4 (CAS 841210-00-2) is a chemical compound with molecular formula C21H18Cl2N8O4 and molecular weight 516.08 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-(3,4-dichlorophenyl)-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N'-(1-(3,4-dimethoxyphenyl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N'-[(1E)-1-(3,4-dimethoxyphenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H18Cl2N8O4 |
|---|---|
| Molecular Weight | 516.08 g/mol |
| LogP | 3.3775 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 516.0828 |
| Heavy Atoms | 35 |
| Complexity | 1432.703 |
Chemical Identifiers
| CAS Number | 841210-00-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=C(C=C3)Cl)Cl)/C4=CC(=C(C=C4)OC)OC |
Product Overview
C21H18Cl2N8O4 (CAS 841210-00-2), with molecular formula C21H18Cl2N8O4 and molecular weight 516.08 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C21H18Cl2N8O4
Property Insights of C21H18Cl2N8O4
The XLogP value of 3.3775 indicates that C21H18Cl2N8O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.57 Ų indicates high polarity, suggesting C21H18Cl2N8O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H18Cl2N8O4 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H18Cl2N8O4?
The CAS number of C21H18Cl2N8O4 is 841210-00-2.
What is the molecular formula of C21H18Cl2N8O4?
The molecular formula of C21H18Cl2N8O4 is C21H18Cl2N8O4.
What is the molecular weight of C21H18Cl2N8O4?
The molecular weight of C21H18Cl2N8O4 is 516.08 g/mol.
Where can I buy C21H18Cl2N8O4?
You can request a quote for C21H18Cl2N8O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18Cl2N8O4?
Yes, KEHONG BIO provides custom synthesis services for C21H18Cl2N8O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.