1,3-Dinitroimidazolidine
TL;DR: 1,3-Dinitroimidazolidine (CAS 5754-91-6) is a chemical compound with molecular formula C3H6N4O4 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitroimidazolidine
Also Known As: 1,3-Dinitroimidazolidine, DNCP, Imidazoline, 1,3-dinitro-, IMIDAZOLIDINE, 1,3-DINITRO-, 1,3-Dinitro-2-methylimidazoline
| Molecular Formula | C3H6N4O4 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 98.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.03891 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 5754-91-6 |
|---|---|
| SMILES | C1CN(CN1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MGUHTGHCUOCIGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dinitroimidazolidine (CAS 5754-91-6), with molecular formula C3H6N4O4 and molecular weight 162.04 g/mol. IUPAC: 1,3-dinitroimidazolidine.
Chemical Property Profile of 1,3-Dinitroimidazolidine
Property Insights of 1,3-Dinitroimidazolidine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dinitroimidazolidine. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitroimidazolidine. Following Lipinski's Rule of Five, 1,3-Dinitroimidazolidine 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 1,3-Dinitroimidazolidine?
The CAS number of 1,3-Dinitroimidazolidine is 5754-91-6.
What is the molecular formula of 1,3-Dinitroimidazolidine?
The molecular formula of 1,3-Dinitroimidazolidine is C3H6N4O4.
What is the molecular weight of 1,3-Dinitroimidazolidine?
The molecular weight of 1,3-Dinitroimidazolidine is 162.04 g/mol.
Where can I buy 1,3-Dinitroimidazolidine?
You can request a quote for 1,3-Dinitroimidazolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitroimidazolidine?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitroimidazolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.