C19H13Cl2N9O4
TL;DR: C19H13Cl2N9O4 (CAS 836631-71-1) is a chemical compound with molecular formula C19H13Cl2N9O4 and molecular weight 501.05 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)-1-(2,4-dichlorophenyl)ethylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(2,4-dichlorophenyl)ethylidene)-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2,4-dichlorophenyl)ethylidene]-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C19H13Cl2N9O4 |
|---|---|
| Molecular Weight | 501.05 g/mol |
| LogP | 3.2685 |
| Topological Polar Surface Area | 180.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.04675 |
| Heavy Atoms | 34 |
| Complexity | 1447.3073 |
Chemical Identifiers
| CAS Number | 836631-71-1 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)[N+](=O)[O-])/C4=C(C=C(C=C4)Cl)Cl |
Product Overview
C19H13Cl2N9O4 (CAS 836631-71-1), with molecular formula C19H13Cl2N9O4 and molecular weight 501.05 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]-5-(3-nitrophenyl)triazole-4-carboxamide.
Chemical Property Profile of C19H13Cl2N9O4
Property Insights of C19H13Cl2N9O4
The XLogP value of 3.2685 indicates that C19H13Cl2N9O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.25 Ų indicates high polarity, suggesting C19H13Cl2N9O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H13Cl2N9O4 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 C19H13Cl2N9O4?
The CAS number of C19H13Cl2N9O4 is 836631-71-1.
What is the molecular formula of C19H13Cl2N9O4?
The molecular formula of C19H13Cl2N9O4 is C19H13Cl2N9O4.
What is the molecular weight of C19H13Cl2N9O4?
The molecular weight of C19H13Cl2N9O4 is 501.05 g/mol.
Where can I buy C19H13Cl2N9O4?
You can request a quote for C19H13Cl2N9O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H13Cl2N9O4?
Yes, KEHONG BIO provides custom synthesis services for C19H13Cl2N9O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.