C20H17BrN8O3
TL;DR: C20H17BrN8O3 (CAS 862117-95-1) is a chemical compound with molecular formula C20H17BrN8O3 and molecular weight 496.06 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-bromophenyl)ethylideneamino]-5-(3-methoxyphenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-bromophenyl)ethylidene)-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-bromophenyl)ethylidene]-5-(3-methoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C20H17BrN8O3 |
|---|---|
| Molecular Weight | 496.06 g/mol |
| LogP | 2.8246 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.0607 |
| Heavy Atoms | 32 |
| Complexity | 1296.4344 |
Chemical Identifiers
| CAS Number | 862117-95-1 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)OC)/C4=CC=C(C=C4)Br |
Product Overview
C20H17BrN8O3 (CAS 862117-95-1), with molecular formula C20H17BrN8O3 and molecular weight 496.06 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-bromophenyl)ethylideneamino]-5-(3-methoxyphenyl)triazole-4-carboxamide.
Chemical Property Profile of C20H17BrN8O3
Property Insights of C20H17BrN8O3
The XLogP value of 2.8246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H17BrN8O3. The TPSA of 146.34 Ų indicates high polarity, suggesting C20H17BrN8O3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H17BrN8O3 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 C20H17BrN8O3?
The CAS number of C20H17BrN8O3 is 862117-95-1.
What is the molecular formula of C20H17BrN8O3?
The molecular formula of C20H17BrN8O3 is C20H17BrN8O3.
What is the molecular weight of C20H17BrN8O3?
The molecular weight of C20H17BrN8O3 is 496.06 g/mol.
Where can I buy C20H17BrN8O3?
You can request a quote for C20H17BrN8O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H17BrN8O3?
Yes, KEHONG BIO provides custom synthesis services for C20H17BrN8O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.