1-(3-Nitrophenyl)-3-phenylurea
TL;DR: 1-(3-Nitrophenyl)-3-phenylurea (CAS 2000-54-6) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)-3-phenylurea
Also Known As: N-(3-nitrophenyl)-N'-phenylurea, 1-(3-nitrophenyl)-3-phenylurea, 3-(3-nitrophenyl)-1-phenylurea, Urea, N-(3-nitrophenyl)-N'-phenyl-, N- -N''-PHENYLUREA
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 2000-54-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | MKGHYUVMRJIWPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Nitrophenyl)-3-phenylurea (CAS 2000-54-6), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: 1-(3-nitrophenyl)-3-phenylurea.
Chemical Property Profile of 1-(3-Nitrophenyl)-3-phenylurea
Property Insights of 1-(3-Nitrophenyl)-3-phenylurea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Nitrophenyl)-3-phenylurea. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitrophenyl)-3-phenylurea. Following Lipinski's Rule of Five, 1-(3-Nitrophenyl)-3-phenylurea has 2 hydrogen bond donor(s) and 3 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-Nitrophenyl)-3-phenylurea?
The CAS number of 1-(3-Nitrophenyl)-3-phenylurea is 2000-54-6.
What is the molecular formula of 1-(3-Nitrophenyl)-3-phenylurea?
The molecular formula of 1-(3-Nitrophenyl)-3-phenylurea is C13H11N3O3.
What is the molecular weight of 1-(3-Nitrophenyl)-3-phenylurea?
The molecular weight of 1-(3-Nitrophenyl)-3-phenylurea is 257.08 g/mol.
Where can I buy 1-(3-Nitrophenyl)-3-phenylurea?
You can request a quote for 1-(3-Nitrophenyl)-3-phenylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrophenyl)-3-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrophenyl)-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.