C21H17N9O3
TL;DR: C21H17N9O3 (CAS 861652-51-9) is a chemical compound with molecular formula C21H17N9O3 and molecular weight 443.15 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)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-5-(3-methoxyphenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-cyanophenyl)ethylidene)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-cyanophenyl)ethylidene]-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H17N9O3 |
|---|---|
| Molecular Weight | 443.15 g/mol |
| LogP | 1.93378 |
| Topological Polar Surface Area | 170.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.14545 |
| Heavy Atoms | 33 |
| Complexity | 1380.7339 |
Chemical Identifiers
| CAS Number | 861652-51-9 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)OC)/C4=CC=C(C=C4)C#N |
Product Overview
C21H17N9O3 (CAS 861652-51-9), with molecular formula C21H17N9O3 and molecular weight 443.15 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]-5-(3-methoxyphenyl)triazole-4-carboxamide.
Chemical Property Profile of C21H17N9O3
Property Insights of C21H17N9O3
The XLogP value of 1.93378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H17N9O3. The TPSA of 170.13 Ų indicates high polarity, suggesting C21H17N9O3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H17N9O3 has 2 hydrogen bond donor(s) and 10 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 C21H17N9O3?
The CAS number of C21H17N9O3 is 861652-51-9.
What is the molecular formula of C21H17N9O3?
The molecular formula of C21H17N9O3 is C21H17N9O3.
What is the molecular weight of C21H17N9O3?
The molecular weight of C21H17N9O3 is 443.15 g/mol.
Where can I buy C21H17N9O3?
You can request a quote for C21H17N9O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H17N9O3?
Yes, KEHONG BIO provides custom synthesis services for C21H17N9O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.