1,3-Bis(2-nitrophenyl)urea
TL;DR: 1,3-Bis(2-nitrophenyl)urea (CAS 5302-52-3) is a chemical compound with molecular formula C13H10N4O5 and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(2-nitrophenyl)urea
Also Known As: 1,3-bis(2-nitrophenyl)urea, 2,2'-dinitrocarbanilide, N,N'-Bis(2-nitrophenyl)urea, N,N'-bis(2-nitrophenyl) urea, Urea,N,N'-bis(2-nitrophenyl)-
| Molecular Formula | C13H10N4O5 |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.06512 |
| Heavy Atoms | 22 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 5302-52-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)NC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QZLBMMPGNZXIAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Bis(2-nitrophenyl)urea (CAS 5302-52-3), with molecular formula C13H10N4O5 and molecular weight 302.07 g/mol. IUPAC: 1,3-bis(2-nitrophenyl)urea.
Chemical Property Profile of 1,3-Bis(2-nitrophenyl)urea
Property Insights of 1,3-Bis(2-nitrophenyl)urea
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Bis(2-nitrophenyl)urea. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(2-nitrophenyl)urea. Following Lipinski's Rule of Five, 1,3-Bis(2-nitrophenyl)urea has 2 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-Bis(2-nitrophenyl)urea?
The CAS number of 1,3-Bis(2-nitrophenyl)urea is 5302-52-3.
What is the molecular formula of 1,3-Bis(2-nitrophenyl)urea?
The molecular formula of 1,3-Bis(2-nitrophenyl)urea is C13H10N4O5.
What is the molecular weight of 1,3-Bis(2-nitrophenyl)urea?
The molecular weight of 1,3-Bis(2-nitrophenyl)urea is 302.07 g/mol.
Where can I buy 1,3-Bis(2-nitrophenyl)urea?
You can request a quote for 1,3-Bis(2-nitrophenyl)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-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(2-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.