2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile
TL;DR: 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile (CAS 303213-76-5) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]benzonitrile
Also Known As: BAS 00485027, 2-({2-nitro-4,5-dimethoxybenzylidene}amino)benzonitrile, AN-329/10003037, 2-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]benzonitrile, 2-[(4,5-Dimethoxy-2-nitro-benzylidene)-amino]-benzonitrile
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 303213-76-5 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=NC2=CC=CC=C2C#N)[N+](=O)[O-])OC |
| InChIKey | IBCGABKCUHJMRJ-UHFFFAOYSA-N |
Product Overview
2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile (CAS 303213-76-5), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: 2-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile
Property Insights of 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile. Following Lipinski's Rule of Five, 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile has 0 hydrogen bond donor(s) and 6 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-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile?
The CAS number of 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile is 303213-76-5.
What is the molecular formula of 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile?
The molecular formula of 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile is C16H13N3O4.
What is the molecular weight of 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile?
The molecular weight of 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile is 311.09 g/mol.
Where can I buy 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile?
You can request a quote for 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-({2-Nitro-4,5-dimethoxybenzylidene}amino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.