3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one
TL;DR: 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one (CAS 30146-42-0) is a chemical compound with molecular formula C13H8N4O3 and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-(3-nitrophenyl)-1,2,3-benzotriazin-4(3h)-one, 3-(3-nitrophenyl)-1,2,3-benzotriazin-4-one, 1,2,3-Benzotriazin-4(3H)-one,3-(3-nitrophenyl)-
| Molecular Formula | C13H8N4O3 |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.05963 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 30146-42-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | NFFZAXACVDOLIL-UHFFFAOYSA-N |
Product Overview
3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one (CAS 30146-42-0), with molecular formula C13H8N4O3 and molecular weight 268.06 g/mol. IUPAC: 3-(3-nitrophenyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one
Property Insights of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one. Following Lipinski's Rule of Five, 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one 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)-1,2,3-benzotriazin-4(3h)-one?
The CAS number of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one is 30146-42-0.
What is the molecular formula of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one?
The molecular formula of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one is C13H8N4O3.
What is the molecular weight of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one?
The molecular weight of 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one is 268.06 g/mol.
Where can I buy 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one?
You can request a quote for 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one 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)-1,2,3-benzotriazin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenyl)-1,2,3-benzotriazin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.