5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide
TL;DR: 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide (CAS 27221-03-0) is a chemical compound with molecular formula C11H12N4O5 and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide
Also Known As: 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide, 5-(1-Aziridinyl)-2,4-dinitro-N,N-dimethylbenzamide
| Molecular Formula | C11H12N4O5 |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.08078 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 27221-03-0 |
|---|---|
| SMILES | CN(C)C(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2CC2 |
| InChIKey | JORNJVDPZHKPNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide (CAS 27221-03-0), with molecular formula C11H12N4O5 and molecular weight 280.08 g/mol. IUPAC: 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide.
Chemical Property Profile of 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide
Property Insights of 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide. Following Lipinski's Rule of Five, 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide 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)-N,N-dimethyl-2,4-dinitrobenzamide?
The CAS number of 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide is 27221-03-0.
What is the molecular formula of 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide?
The molecular formula of 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide is C11H12N4O5.
What is the molecular weight of 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide?
The molecular weight of 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide is 280.08 g/mol.
Where can I buy 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide?
You can request a quote for 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide 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)-N,N-dimethyl-2,4-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(aziridin-1-yl)-N,N-dimethyl-2,4-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.