1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea
TL;DR: 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea (CAS 4596-98-9) is a chemical compound with molecular formula C17H16N6O9 and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2,4-dinitrophenyl)-1,3-diethylurea
Also Known As: 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea, 1,3-bis-(2,4-Dinitrophenyl)-1,3-diethylurea, N,N'-Bis(2,4-dinitrophenyl)-N,N'-diethylurea, N,N -Diethyl-N,N -bis(2,4-dinitrophenyl)urea, EINECS 224-996-3
| Molecular Formula | C17H16N6O9 |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.09787 |
| Heavy Atoms | 32 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 4596-98-9 |
|---|---|
| SMILES | CCN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(=O)N(CC)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GZRUZYZDXWDVPQ-UHFFFAOYSA-N |
Product Overview
1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea (CAS 4596-98-9), with molecular formula C17H16N6O9 and molecular weight 448.10 g/mol. IUPAC: 1,3-bis(2,4-dinitrophenyl)-1,3-diethylurea.
Chemical Property Profile of 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea
Property Insights of 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea. The TPSA of 207.0 Ų indicates high polarity, suggesting 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea has 0 hydrogen bond donor(s) and 9 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-Bis(2,4-dinitrophenyl)-1,3-diethylurea?
The CAS number of 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea is 4596-98-9.
What is the molecular formula of 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea?
The molecular formula of 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea is C17H16N6O9.
What is the molecular weight of 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea?
The molecular weight of 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea is 448.10 g/mol.
Where can I buy 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea?
You can request a quote for 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea 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(2,4-dinitrophenyl)-1,3-diethylurea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2,4-dinitrophenyl)-1,3-diethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.