4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile
TL;DR: 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile (CAS 351332-07-5) is a chemical compound with molecular formula C12H12N4O2 and molecular weight 244.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(diethylamino)-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-(diethylamino)-5-nitrobenzene-1,2-dicarbonitrile, 5-(diethylamino)-4-nitrobenzene-1,2-dicarbonitrile, 2-CYANO-4-(DIETHYLAMINO)-5-NITROPHENYL CYANIDE
| Molecular Formula | C12H12N4O2 |
|---|---|
| Molecular Weight | 244.10 g/mol |
| LogP | 2.18436 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.09602 |
| Heavy Atoms | 18 |
| Complexity | 550.42145 |
Chemical Identifiers
| CAS Number | 351332-07-5 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C(=C1)C#N)C#N)[N+](=O)[O-] |
Product Overview
4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile (CAS 351332-07-5), with molecular formula C12H12N4O2 and molecular weight 244.10 g/mol. IUPAC: 4-(diethylamino)-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile
Property Insights of 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile
The XLogP value of 2.18436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile. The TPSA of 93.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 5 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 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile?
The CAS number of 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile is 351332-07-5.
What is the molecular formula of 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile?
The molecular formula of 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile is C12H12N4O2.
What is the molecular weight of 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile?
The molecular weight of 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile is 244.10 g/mol.
Where can I buy 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile?
You can request a quote for 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Diethylamino)-5-nitrobenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.