![1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea structure](/static/products/3391/339111-28-3.webp)
1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea
TL;DR: 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea (CAS 339111-28-3) is a chemical compound with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea
Also Known As: 1-(4-methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea, N-(4-methylphenyl)-N'-[2-(2-nitroethyl)phenyl]urea, N-(4-Methylphenyl)-N'-(2-(2-nitroethyl)phenyl)urea, 1-[2-(2-nitroethyl)phenyl]-3-(p-tolyl)urea, 3-(4-methylphenyl)-1-[2-(2-nitroethyl)phenyl]urea
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 3.45822 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 668.5912 |
Chemical Identifiers
| CAS Number | 339111-28-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2CC[N+](=O)[O-] |
Product Overview
1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea (CAS 339111-28-3), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 1-(4-methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea.
Chemical Property Profile of 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea
Property Insights of 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea
The XLogP value of 3.45822 indicates that 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]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
Frequently Asked Questions
What is the CAS number of 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea?
The CAS number of 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea is 339111-28-3.
What is the molecular formula of 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea?
The molecular formula of 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea is C16H17N3O3.
What is the molecular weight of 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea?
The molecular weight of 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea is 299.13 g/mol.
Where can I buy 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea?
You can request a quote for 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-3-[2-(2-nitroethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.