![3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide structure](/static/products/4450/445005-99-2.webp)
3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide
TL;DR: 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide (CAS 445005-99-2) is a chemical compound with molecular formula C21H16N4O5 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]-3-methyl-4-nitrobenzamide
Also Known As: 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide, N'-({5-[(4-Cyanophenoxy)methyl]furan-2-yl}methylidene)-3-methyl-4-nitrobenzohydrazide, N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]-3-methyl-4-nitrobenzamide
| Molecular Formula | C21H16N4O5 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 3.7108 |
| Topological Polar Surface Area | 130.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.11206 |
| Heavy Atoms | 30 |
| Complexity | 1142.9486 |
Chemical Identifiers
| CAS Number | 445005-99-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NN=CC2=CC=C(O2)COC3=CC=C(C=C3)C#N)[N+](=O)[O-] |
Product Overview
3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide (CAS 445005-99-2), with molecular formula C21H16N4O5 and molecular weight 404.11 g/mol. IUPAC: N-[[5-[(4-cyanophenoxy)methyl]furan-2-yl]methylideneamino]-3-methyl-4-nitrobenzamide.
Chemical Property Profile of 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide
Property Insights of 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide
The XLogP value of 3.7108 indicates that 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide. Following Lipinski's Rule of Five, 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide 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 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide?
The CAS number of 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide is 445005-99-2.
What is the molecular formula of 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide?
The molecular formula of 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide is C21H16N4O5.
What is the molecular weight of 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide?
The molecular weight of 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide is 404.11 g/mol.
Where can I buy 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide?
You can request a quote for 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitrobenzoic acid 2-[[5-[(4-cyanophenoxy)methyl]-2-furanyl]methylene]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.