C20H23Cl2N9O2
TL;DR: C20H23Cl2N9O2 (CAS 862105-96-2) is a chemical compound with molecular formula C20H23Cl2N9O2 and molecular weight 491.14 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-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-(2,4-dichlorophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(2,4-dichlorobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(E)-(2,4-dichlorophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C20H23Cl2N9O2 |
|---|---|
| Molecular Weight | 491.14 g/mol |
| LogP | 3.0677 |
| Topological Polar Surface Area | 140.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.13516 |
| Heavy Atoms | 33 |
| Complexity | 1154.3645 |
Chemical Identifiers
| CAS Number | 862105-96-2 |
|---|---|
| SMILES | CN(CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=C(C=C(C=C3)Cl)Cl)C4CCCCC4 |
Product Overview
C20H23Cl2N9O2 (CAS 862105-96-2), with molecular formula C20H23Cl2N9O2 and molecular weight 491.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-(2,4-dichlorophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C20H23Cl2N9O2
Property Insights of C20H23Cl2N9O2
The XLogP value of 3.0677 indicates that C20H23Cl2N9O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.35 Ų indicates high polarity, suggesting C20H23Cl2N9O2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H23Cl2N9O2 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 C20H23Cl2N9O2?
The CAS number of C20H23Cl2N9O2 is 862105-96-2.
What is the molecular formula of C20H23Cl2N9O2?
The molecular formula of C20H23Cl2N9O2 is C20H23Cl2N9O2.
What is the molecular weight of C20H23Cl2N9O2?
The molecular weight of C20H23Cl2N9O2 is 491.14 g/mol.
Where can I buy C20H23Cl2N9O2?
You can request a quote for C20H23Cl2N9O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H23Cl2N9O2?
Yes, KEHONG BIO provides custom synthesis services for C20H23Cl2N9O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.