1-(3,3-Dinitrobutyl)-1-nitrosourea
TL;DR: 1-(3,3-Dinitrobutyl)-1-nitrosourea (CAS 500583-89-1) is a chemical compound with molecular formula C5H9N5O6 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-dinitrobutyl)-1-nitrosourea
Also Known As: 1-(3,3-dinitrobutyl)-1-nitrosourea
| Molecular Formula | C5H9N5O6 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.05528 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 500583-89-1 |
|---|---|
| SMILES | CC(CCN(C(=O)N)N=O)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | IVFPSJGTANULTK-UHFFFAOYSA-N |
Product Overview
1-(3,3-Dinitrobutyl)-1-nitrosourea (CAS 500583-89-1), with molecular formula C5H9N5O6 and molecular weight 235.06 g/mol. IUPAC: 1-(3,3-dinitrobutyl)-1-nitrosourea.
Chemical Property Profile of 1-(3,3-Dinitrobutyl)-1-nitrosourea
Property Insights of 1-(3,3-Dinitrobutyl)-1-nitrosourea
The XLogP value of -0.1 indicates that 1-(3,3-Dinitrobutyl)-1-nitrosourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting 1-(3,3-Dinitrobutyl)-1-nitrosourea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(3,3-Dinitrobutyl)-1-nitrosourea has 1 hydrogen bond donor(s) and 7 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-(3,3-Dinitrobutyl)-1-nitrosourea?
The CAS number of 1-(3,3-Dinitrobutyl)-1-nitrosourea is 500583-89-1.
What is the molecular formula of 1-(3,3-Dinitrobutyl)-1-nitrosourea?
The molecular formula of 1-(3,3-Dinitrobutyl)-1-nitrosourea is C5H9N5O6.
What is the molecular weight of 1-(3,3-Dinitrobutyl)-1-nitrosourea?
The molecular weight of 1-(3,3-Dinitrobutyl)-1-nitrosourea is 235.06 g/mol.
Where can I buy 1-(3,3-Dinitrobutyl)-1-nitrosourea?
You can request a quote for 1-(3,3-Dinitrobutyl)-1-nitrosourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,3-Dinitrobutyl)-1-nitrosourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,3-Dinitrobutyl)-1-nitrosourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.