N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide
TL;DR: N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide (CAS 91330-77-7) is a chemical compound with molecular formula C12H8N4O6 and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(furan-2-ylmethylideneamino)-3,5-dinitrobenzamide
Also Known As: furfural-(3,5-dinitro-benzoylhydrazone), N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide, N-(furan-2-ylmethylideneamino)-3,5-dinitrobenzamide
| Molecular Formula | C12H8N4O6 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 1.8599 |
| Topological Polar Surface Area | 140.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.04437 |
| Heavy Atoms | 22 |
| Complexity | 720.73193 |
Chemical Identifiers
| CAS Number | 91330-77-7 |
|---|---|
| SMILES | C1=COC(=C1)C=NNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide (CAS 91330-77-7), with molecular formula C12H8N4O6 and molecular weight 304.04 g/mol. IUPAC: N-(furan-2-ylmethylideneamino)-3,5-dinitrobenzamide.
Chemical Property Profile of N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide
Property Insights of N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide
The XLogP value of 1.8599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide. The TPSA of 140.88 Ų indicates high polarity, suggesting N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide 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-(2-furanylmethylideneamino)-3,5-dinitrobenzamide?
The CAS number of N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide is 91330-77-7.
What is the molecular formula of N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide?
The molecular formula of N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide is C12H8N4O6.
What is the molecular weight of N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide?
The molecular weight of N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide is 304.04 g/mol.
Where can I buy N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide?
You can request a quote for N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-furanylmethylideneamino)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.