2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione
TL;DR: 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione (CAS 488096-55-5) is a chemical compound with molecular formula C22H13N5O4 and molecular weight 411.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione
Also Known As: 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione, (2Z)-3-(1H-benzotriazol-1-yl)-4-hydroxy-2-[(3-nitrophenyl)imino]naphthalen-1(2H)-one, 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-nitrophenyl)amino)naphthalene-1,4-dione
| Molecular Formula | C22H13N5O4 |
|---|---|
| Molecular Weight | 411.10 g/mol |
| LogP | 3.6994 |
| Topological Polar Surface Area | 120.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.09674 |
| Heavy Atoms | 31 |
| Complexity | 1436.6327 |
Chemical Identifiers
| CAS Number | 488096-55-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione (CAS 488096-55-5), with molecular formula C22H13N5O4 and molecular weight 411.10 g/mol. IUPAC: 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione.
Chemical Property Profile of 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione
Property Insights of 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione
The XLogP value of 3.6994 indicates that 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 7 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 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione?
The CAS number of 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione is 488096-55-5.
What is the molecular formula of 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione?
The molecular formula of 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione is C22H13N5O4.
What is the molecular weight of 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione?
The molecular weight of 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione is 411.10 g/mol.
Where can I buy 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione?
You can request a quote for 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzotriazol-1-yl)-3-(3-nitroanilino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.