1,3-Bis(2,2,2-trinitroethyl)urea
TL;DR: 1,3-Bis(2,2,2-trinitroethyl)urea (CAS 918-99-0) is a chemical compound with molecular formula C5H6N8O13 and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2,2,2-trinitroethyl)urea
Also Known As: 1,3-bis(2,2,2-trinitroethyl)urea, N,N'bis(tri-nitroethyl)urea, Ex039, N,N'-Bis(2,2,2-trinitroethyl)urea, 1,3-Di(2,2,2-trinitroethyl)urea
| Molecular Formula | C5H6N8O13 |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | -2.7466 |
| Topological Polar Surface Area | 299.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 386.00543 |
| Heavy Atoms | 26 |
| Complexity | 557.94366 |
Chemical Identifiers
| CAS Number | 918-99-0 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])NC(=O)NCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,3-Bis(2,2,2-trinitroethyl)urea (CAS 918-99-0), with molecular formula C5H6N8O13 and molecular weight 386.01 g/mol. IUPAC: 1,3-bis(2,2,2-trinitroethyl)urea.
Chemical Property Profile of 1,3-Bis(2,2,2-trinitroethyl)urea
Property Insights of 1,3-Bis(2,2,2-trinitroethyl)urea
The XLogP value of -2.7466 indicates that 1,3-Bis(2,2,2-trinitroethyl)urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 299.97 Ų indicates high polarity, suggesting 1,3-Bis(2,2,2-trinitroethyl)urea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Bis(2,2,2-trinitroethyl)urea has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Bis(2,2,2-trinitroethyl)urea?
The CAS number of 1,3-Bis(2,2,2-trinitroethyl)urea is 918-99-0.
What is the molecular formula of 1,3-Bis(2,2,2-trinitroethyl)urea?
The molecular formula of 1,3-Bis(2,2,2-trinitroethyl)urea is C5H6N8O13.
What is the molecular weight of 1,3-Bis(2,2,2-trinitroethyl)urea?
The molecular weight of 1,3-Bis(2,2,2-trinitroethyl)urea is 386.01 g/mol.
Where can I buy 1,3-Bis(2,2,2-trinitroethyl)urea?
You can request a quote for 1,3-Bis(2,2,2-trinitroethyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(2,2,2-trinitroethyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2,2,2-trinitroethyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.