![2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile structure](/static/products/946/946665-01-6.png)
2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile
TL;DR: 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile (CAS 946665-01-6) is a chemical compound with molecular formula C15H13N3O4 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dimethoxyanilino)-5-nitrobenzonitrile
Also Known As: 2-[(2,4-dimethoxyphenyl)amino]-5-nitrobenzonitrile, 2-(2,4-dimethoxyanilino)-5-nitrobenzonitrile, 2-((2,4-Dimethoxyphenyl)amino)-5-nitrobenzonitrile, 2-(2,4-dimethoxyanilino)-5-nitro-benzonitrile, 2-(2,4-Dimethoxyphenyl)amino-5-nitrobenzonitrile
| Molecular Formula | C15H13N3O4 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 3.22728 |
| Topological Polar Surface Area | 97.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.0906 |
| Heavy Atoms | 22 |
| Complexity | 752.9382 |
Chemical Identifiers
| CAS Number | 946665-01-6 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)OC |
Product Overview
2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile (CAS 946665-01-6), with molecular formula C15H13N3O4 and molecular weight 299.09 g/mol. IUPAC: 2-(2,4-dimethoxyanilino)-5-nitrobenzonitrile.
Chemical Property Profile of 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile
Property Insights of 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile
The XLogP value of 3.22728 indicates that 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile has 1 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-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile?
The CAS number of 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile is 946665-01-6.
What is the molecular formula of 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile?
The molecular formula of 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile is C15H13N3O4.
What is the molecular weight of 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile?
The molecular weight of 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile is 299.09 g/mol.
Where can I buy 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile?
You can request a quote for 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,4-Dimethoxyphenyl)amino]-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.