N,N'-(5-Nitro-1,3-phenylene)diurea
TL;DR: N,N'-(5-Nitro-1,3-phenylene)diurea (CAS 58200-07-0) is a chemical compound with molecular formula C8H9N5O4 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(carbamoylamino)-5-nitrophenyl]urea
Also Known As: N,N'-(5-Nitro-1,3-phenylene)diurea, [3-(carbamoylamino)-5-nitrophenyl]urea, RefChem:358322
| Molecular Formula | C8H9N5O4 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.06546 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 58200-07-0 |
|---|---|
| SMILES | C1=C(C=C(C=C1NC(=O)N)[N+](=O)[O-])NC(=O)N |
| InChIKey | XGJBDNJFTMCINV-UHFFFAOYSA-N |
Product Overview
N,N'-(5-Nitro-1,3-phenylene)diurea (CAS 58200-07-0), with molecular formula C8H9N5O4 and molecular weight 239.07 g/mol. IUPAC: [3-(carbamoylamino)-5-nitrophenyl]urea.
Chemical Property Profile of N,N'-(5-Nitro-1,3-phenylene)diurea
Property Insights of N,N'-(5-Nitro-1,3-phenylene)diurea
The XLogP value of -1.0 indicates that N,N'-(5-Nitro-1,3-phenylene)diurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting N,N'-(5-Nitro-1,3-phenylene)diurea may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'-(5-Nitro-1,3-phenylene)diurea has 4 hydrogen bond donor(s) and 4 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 N,N'-(5-Nitro-1,3-phenylene)diurea?
The CAS number of N,N'-(5-Nitro-1,3-phenylene)diurea is 58200-07-0.
What is the molecular formula of N,N'-(5-Nitro-1,3-phenylene)diurea?
The molecular formula of N,N'-(5-Nitro-1,3-phenylene)diurea is C8H9N5O4.
What is the molecular weight of N,N'-(5-Nitro-1,3-phenylene)diurea?
The molecular weight of N,N'-(5-Nitro-1,3-phenylene)diurea is 239.07 g/mol.
Where can I buy N,N'-(5-Nitro-1,3-phenylene)diurea?
You can request a quote for N,N'-(5-Nitro-1,3-phenylene)diurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N'-(5-Nitro-1,3-phenylene)diurea?
Yes, KEHONG BIO provides custom synthesis services for N,N'-(5-Nitro-1,3-phenylene)diurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.