1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea
TL;DR: 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea (CAS 108717-63-1) is a chemical compound with molecular formula C15H15N3O3 and molecular weight 285.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,6-dimethylphenyl)-3-(3-nitrophenyl)urea
Also Known As: 1-(2,6-dimethylphenyl)-3-(3-nitrophenyl)urea, 3-(2,6-dimethylphenyl)-1-(3-nitrophenyl)urea, N-(2,6-dimethylphenyl)-N'-(3-nitrophenyl)urea, N-(2,6-dimethylphenyl)-N'-(3'-nitrophenyl)urea, 666-022-3
Technical Specifications
| Molecular Formula | C15H15N3O3 |
| Molecular Weight | 285.11133 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.11133 Da |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | TXBMSMSCAVRZRN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea
Property Insights of 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea
The XLogP value of 3.0 indicates that 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea 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
What is the CAS number of 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea?
The CAS number of 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea is 108717-63-1.
What is the molecular formula of 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea?
The molecular formula of 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea is C15H15N3O3.
What is the molecular weight of 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea?
The molecular weight of 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea is 285.11133 g/mol.
Where can I buy 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea?
You can request a quote for 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea?
Yes, CoreyChem provides custom synthesis services for 1-(2,6-Dimethylphenyl)-3-(3-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.