1,3-Dinitro-2-imidazolidinone
TL;DR: 1,3-Dinitro-2-imidazolidinone (CAS 2536-18-7) is a chemical compound with molecular formula C3H4N4O5 and molecular weight 176.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitroimidazolidin-2-one
Also Known As: 1,3-Dinitro-2-imidazolidinone, 1,3-Dinitro-2-imidazolidone, 1,3-dinitroimidazolidin-2-one, N,N'-Dinitro-N,N'-ethyleneurea, 2-IMIDAZOLIDINONE, 1,3-DINITRO-
| Molecular Formula | C3H4N4O5 |
|---|---|
| Molecular Weight | 176.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.01817 |
| Heavy Atoms | 12 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 2536-18-7 |
|---|---|
| SMILES | C1CN(C(=O)N1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XIWMHAHUHIHAER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dinitro-2-imidazolidinone (CAS 2536-18-7), with molecular formula C3H4N4O5 and molecular weight 176.02 g/mol. IUPAC: 1,3-dinitroimidazolidin-2-one.
Chemical Property Profile of 1,3-Dinitro-2-imidazolidinone
Property Insights of 1,3-Dinitro-2-imidazolidinone
The XLogP value of -0.2 indicates that 1,3-Dinitro-2-imidazolidinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitro-2-imidazolidinone. Following Lipinski's Rule of Five, 1,3-Dinitro-2-imidazolidinone 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 1,3-Dinitro-2-imidazolidinone?
The CAS number of 1,3-Dinitro-2-imidazolidinone is 2536-18-7.
What is the molecular formula of 1,3-Dinitro-2-imidazolidinone?
The molecular formula of 1,3-Dinitro-2-imidazolidinone is C3H4N4O5.
What is the molecular weight of 1,3-Dinitro-2-imidazolidinone?
The molecular weight of 1,3-Dinitro-2-imidazolidinone is 176.02 g/mol.
Where can I buy 1,3-Dinitro-2-imidazolidinone?
You can request a quote for 1,3-Dinitro-2-imidazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitro-2-imidazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitro-2-imidazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.