C17H18N12O2
TL;DR: C17H18N12O2 (CAS 849005-34-1) is a chemical compound with molecular formula C17H18N12O2 and molecular weight 422.17 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)-5-propyl-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]triazole-4-carboxamide
Also Known As: (E)-N'-(1-(3-(1H-tetrazol-1-yl)phenyl)ethylidene)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-N'-{(1E)-1-[3-(1H-tetrazol-1-yl)phenyl]ethylidene}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C17H18N12O2 |
|---|---|
| Molecular Weight | 422.17 g/mol |
| LogP | 0.3147 |
| Topological Polar Surface Area | 180.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.16757 |
| Heavy Atoms | 31 |
| Complexity | 1223.719 |
Chemical Identifiers
| CAS Number | 849005-34-1 |
|---|---|
| SMILES | CCCC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C(\C)/C3=CC(=CC=C3)N4C=NN=N4 |
Product Overview
C17H18N12O2 (CAS 849005-34-1), with molecular formula C17H18N12O2 and molecular weight 422.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-propyl-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C17H18N12O2
Property Insights of C17H18N12O2
The XLogP value of 0.3147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H18N12O2. The TPSA of 180.71 Ų indicates high polarity, suggesting C17H18N12O2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C17H18N12O2 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 C17H18N12O2?
The CAS number of C17H18N12O2 is 849005-34-1.
What is the molecular formula of C17H18N12O2?
The molecular formula of C17H18N12O2 is C17H18N12O2.
What is the molecular weight of C17H18N12O2?
The molecular weight of C17H18N12O2 is 422.17 g/mol.
Where can I buy C17H18N12O2?
You can request a quote for C17H18N12O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H18N12O2?
Yes, KEHONG BIO provides custom synthesis services for C17H18N12O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.