4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
TL;DR: 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile (CAS 274924-68-4) is a chemical compound with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
Also Known As: 4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile, 4-(azepan-1-yl)-5-nitrophthalonitrile, 5-azaperhydroepinyl-4-nitrobenzene-1,2-dicarbonitrile
| Molecular Formula | C14H14N4O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 2.71856 |
| Topological Polar Surface Area | 93.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.11166 |
| Heavy Atoms | 20 |
| Complexity | 604.8255 |
Chemical Identifiers
| CAS Number | 274924-68-4 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-] |
Product Overview
4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile (CAS 274924-68-4), with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol. IUPAC: 4-(azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
Property Insights of 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile
The XLogP value of 2.71856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile. The TPSA of 93.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-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-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile?
The CAS number of 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile is 274924-68-4.
What is the molecular formula of 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile?
The molecular formula of 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile is C14H14N4O2.
What is the molecular weight of 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile?
The molecular weight of 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile is 270.11 g/mol.
Where can I buy 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile?
You can request a quote for 4-(Azepan-1-yl)-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-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)-5-nitrobenzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.