3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile
TL;DR: 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile (CAS 309735-20-4) is a chemical compound with molecular formula C14H7N5O3 and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzonitrile
Also Known As: 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile, 3-nitro-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzonitrile, Benzonitrile,3-nitro-4-(4-oxo-4H-1,2,3-benzotriazin-3-yl)-, 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile #, 3-nitro-4-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)benzonitrile
| Molecular Formula | C14H7N5O3 |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.0549 |
| Heavy Atoms | 22 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 309735-20-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-] |
| InChIKey | DOWAVNWYZRCAGS-UHFFFAOYSA-N |
Product Overview
3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile (CAS 309735-20-4), with molecular formula C14H7N5O3 and molecular weight 293.05 g/mol. IUPAC: 3-nitro-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzonitrile.
Chemical Property Profile of 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile
Property Insights of 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile. Following Lipinski's Rule of Five, 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile has 0 hydrogen bond donor(s) and 6 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 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile?
The CAS number of 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile is 309735-20-4.
What is the molecular formula of 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile?
The molecular formula of 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile is C14H7N5O3.
What is the molecular weight of 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile?
The molecular weight of 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile is 293.05 g/mol.
Where can I buy 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile?
You can request a quote for 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.