1,3-Dinitrosoimidazolidin-2-one
TL;DR: 1,3-Dinitrosoimidazolidin-2-one (CAS 5531-87-3) is a chemical compound with molecular formula C3H4N4O3 and molecular weight 144.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dinitrosoimidazolidin-2-one
Also Known As: 1,3-dinitrosoimidazolidin-2-one, 1,3-Dinitroso-2-imidazolidinone, 1,3-Dinitrosoimidazolidine-2-one, 1,3-dinitroso-imidazolidin-2-one, KST-1B5513
| Molecular Formula | C3H4N4O3 |
|---|---|
| Molecular Weight | 144.03 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 82.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.02834 |
| Heavy Atoms | 10 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 5531-87-3 |
|---|---|
| SMILES | C1CN(C(=O)N1N=O)N=O |
| InChIKey | SSUXLXVELKBYHT-UHFFFAOYSA-N |
Product Overview
1,3-Dinitrosoimidazolidin-2-one (CAS 5531-87-3), with molecular formula C3H4N4O3 and molecular weight 144.03 g/mol. IUPAC: 1,3-dinitrosoimidazolidin-2-one.
Chemical Property Profile of 1,3-Dinitrosoimidazolidin-2-one
Property Insights of 1,3-Dinitrosoimidazolidin-2-one
The XLogP value of -1.1 indicates that 1,3-Dinitrosoimidazolidin-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitrosoimidazolidin-2-one. Following Lipinski's Rule of Five, 1,3-Dinitrosoimidazolidin-2-one 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-Dinitrosoimidazolidin-2-one?
The CAS number of 1,3-Dinitrosoimidazolidin-2-one is 5531-87-3.
What is the molecular formula of 1,3-Dinitrosoimidazolidin-2-one?
The molecular formula of 1,3-Dinitrosoimidazolidin-2-one is C3H4N4O3.
What is the molecular weight of 1,3-Dinitrosoimidazolidin-2-one?
The molecular weight of 1,3-Dinitrosoimidazolidin-2-one is 144.03 g/mol.
Where can I buy 1,3-Dinitrosoimidazolidin-2-one?
You can request a quote for 1,3-Dinitrosoimidazolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitrosoimidazolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitrosoimidazolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.