C17H21N9O4
TL;DR: C17H21N9O4 (CAS 577761-85-4) is a chemical compound with molecular formula C17H21N9O4 and molecular weight 415.17 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)-(2,4-dimethoxyphenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2,4-dimethoxybenzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-5-[(dimethylamino)methyl]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C17H21N9O4 |
|---|---|
| Molecular Weight | 415.17 g/mol |
| LogP | 0.0752 |
| Topological Polar Surface Area | 158.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.17166 |
| Heavy Atoms | 30 |
| Complexity | 1057.4337 |
Chemical Identifiers
| CAS Number | 577761-85-4 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=C(C=C(C=C3)OC)OC |
Product Overview
C17H21N9O4 (CAS 577761-85-4), with molecular formula C17H21N9O4 and molecular weight 415.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-5-[(dimethylamino)methyl]triazole-4-carboxamide.
Chemical Property Profile of C17H21N9O4
Property Insights of C17H21N9O4
The XLogP value of 0.0752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H21N9O4. The TPSA of 158.81 Ų indicates high polarity, suggesting C17H21N9O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H21N9O4 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 C17H21N9O4?
The CAS number of C17H21N9O4 is 577761-85-4.
What is the molecular formula of C17H21N9O4?
The molecular formula of C17H21N9O4 is C17H21N9O4.
What is the molecular weight of C17H21N9O4?
The molecular weight of C17H21N9O4 is 415.17 g/mol.
Where can I buy C17H21N9O4?
You can request a quote for C17H21N9O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H21N9O4?
Yes, KEHONG BIO provides custom synthesis services for C17H21N9O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.