1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea
TL;DR: 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea (CAS 132931-85-2) 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-benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea
Also Known As: 1-benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea, 1-(4-Methyl-2-nitrophenyl)-3-benzyl-3-methylurea, 1-benzyl-1-methyl-3-(4-methyl-2-nitro-phenyl)urea, 3-benzyl-3-methyl-1-(4-methyl-2-nitrophenyl)urea, 661-213-8
| Molecular Formula | C16H17N3O3 |
|---|---|
| Molecular Weight | 299.13 g/mol |
| LogP | 3.56712 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.12698 |
| Heavy Atoms | 22 |
| Complexity | 686.29034 |
Chemical Identifiers
| CAS Number | 132931-85-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)N(C)CC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea (CAS 132931-85-2), with molecular formula C16H17N3O3 and molecular weight 299.13 g/mol. IUPAC: 1-benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea.
Chemical Property Profile of 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea
Property Insights of 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea
The XLogP value of 3.56712 indicates that 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea. Following Lipinski's Rule of Five, 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea has 1 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-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea?
The CAS number of 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea is 132931-85-2.
What is the molecular formula of 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea?
The molecular formula of 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea is C16H17N3O3.
What is the molecular weight of 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea?
The molecular weight of 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea is 299.13 g/mol.
Where can I buy 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea?
You can request a quote for 1-Benzyl-1-methyl-3-(4-methyl-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-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.