3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine
TL;DR: 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine (CAS 84831-90-3) is a chemical compound with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine
Also Known As: 3-(3-nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine, Benzo[1,2,4]triazine, 3-(3-nitrophenyl)-5,6,7,8-tetrahydro-, 3-(3-Nitrophenyl)-5,6,7,8-tetrahydrobenzo[e][1,2,4]triazine, 660-983-2, RefChem:492179
| Molecular Formula | C13H12N4O2 |
|---|---|
| Molecular Weight | 256.10 g/mol |
| LogP | 2.3256 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.09604 |
| Heavy Atoms | 19 |
| Complexity | 642.2904 |
Chemical Identifiers
| CAS Number | 84831-90-3 |
|---|---|
| SMILES | C1CCC2=C(C1)N=C(N=N2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine (CAS 84831-90-3), with molecular formula C13H12N4O2 and molecular weight 256.10 g/mol. IUPAC: 3-(3-nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine.
Chemical Property Profile of 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine
Property Insights of 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine
The XLogP value of 2.3256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine. Following Lipinski's Rule of Five, 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine has 0 hydrogen bond donor(s) and 5 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-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine?
The CAS number of 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine is 84831-90-3.
What is the molecular formula of 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine?
The molecular formula of 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine is C13H12N4O2.
What is the molecular weight of 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine?
The molecular weight of 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine is 256.10 g/mol.
Where can I buy 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine?
You can request a quote for 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.