5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile
TL;DR: 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile (CAS 27141-71-5) is a chemical compound with molecular formula C9H6N4O4 and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(aziridin-1-yl)-2,4-dinitrobenzonitrile
Also Known As: Benzonitrile,4-dinitro-, 5-(aziridin-1-yl)-2,4-dinitrobenzonitrile
| Molecular Formula | C9H6N4O4 |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.03891 |
| Heavy Atoms | 17 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 27141-71-5 |
|---|---|
| SMILES | C1CN1C2=C(C=C(C(=C2)C#N)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | UUJDYCWDCOVRCX-UHFFFAOYSA-N |
Product Overview
5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile (CAS 27141-71-5), with molecular formula C9H6N4O4 and molecular weight 234.04 g/mol. IUPAC: 5-(aziridin-1-yl)-2,4-dinitrobenzonitrile.
Chemical Property Profile of 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile
Property Insights of 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile. Following Lipinski's Rule of Five, 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile 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 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile?
The CAS number of 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile is 27141-71-5.
What is the molecular formula of 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile?
The molecular formula of 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile is C9H6N4O4.
What is the molecular weight of 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile?
The molecular weight of 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile is 234.04 g/mol.
Where can I buy 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile?
You can request a quote for 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(Aziridin-1-yl)-2,4-dinitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.