N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide
TL;DR: N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide (CAS 445022-35-5) is a chemical compound with molecular formula C25H18N4O5 and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide
Also Known As: N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide, 2-(2-methylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide, 2-(2-methylphenyl)-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]quinoline-4-carbohydrazide, N-[(1E)-2-(6-nitro(2H-benzo[3,4-d]1,3-dioxolan-5-yl))-1-azavinyl][2-(2-methylp henyl)(4-quinolyl)]carboxamide
| Molecular Formula | C25H18N4O5 |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 4.61102 |
| Topological Polar Surface Area | 115.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.12772 |
| Heavy Atoms | 34 |
| Complexity | 1481.903 |
Chemical Identifiers
| CAS Number | 445022-35-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=C2)C(=O)N/N=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5 |
Product Overview
N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide (CAS 445022-35-5), with molecular formula C25H18N4O5 and molecular weight 454.13 g/mol. IUPAC: 2-(2-methylphenyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]quinoline-4-carboxamide.
Chemical Property Profile of N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide
Property Insights of N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide
The XLogP value of 4.61102 indicates that N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide. Following Lipinski's Rule of Five, N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide 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 N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide?
The CAS number of N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide is 445022-35-5.
What is the molecular formula of N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide?
The molecular formula of N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide is C25H18N4O5.
What is the molecular weight of N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide?
The molecular weight of N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide is 454.13 g/mol.
Where can I buy N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide?
You can request a quote for N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-2-(2-methylphenyl)-4-quinolinecarbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.