![1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole structure](/static/products/519/519041-79-3.png)
1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole
TL;DR: 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole (CAS 519041-79-3) is a chemical compound with molecular formula C20H11N7O5 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(benzotriazol-1-yl)-3-nitrophenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
Also Known As: 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole, 2-[4-(benzotriazol-1-yl)-3-nitrophenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole, 2-(4-(1H-benzo[d][1,2,3]triazol-1-yl)-3-nitrophenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole, 2-[4-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-NITROPHENYL]-5-(4-NITROPHENYL)-1,3,4-OXADIAZOLE
| Molecular Formula | C20H11N7O5 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 3.9539 |
| Topological Polar Surface Area | 155.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.08215 |
| Heavy Atoms | 32 |
| Complexity | 1490.0625 |
Chemical Identifiers
| CAS Number | 519041-79-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3)C4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole (CAS 519041-79-3), with molecular formula C20H11N7O5 and molecular weight 429.08 g/mol. IUPAC: 2-[4-(benzotriazol-1-yl)-3-nitrophenyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole
Property Insights of 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole
The XLogP value of 3.9539 indicates that 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.91 Ų indicates high polarity, suggesting 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole has 0 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 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole?
The CAS number of 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole is 519041-79-3.
What is the molecular formula of 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole?
The molecular formula of 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole is C20H11N7O5.
What is the molecular weight of 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole?
The molecular weight of 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole is 429.08 g/mol.
Where can I buy 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole?
You can request a quote for 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-nitro-4-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.