1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea
TL;DR: 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea (CAS 445013-43-4) is a chemical compound with molecular formula C14H12ClN3O3 and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-3-nitrophenyl)-3-(4-methylphenyl)urea
Also Known As: 1-(4-chloro-3-nitrophenyl)-3-(4-methylphenyl)urea, N-{4-chloro-3-nitrophenyl}-N'-(4-methylphenyl)urea
| Molecular Formula | C14H12ClN3O3 |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 4.20062 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.05673 |
| Heavy Atoms | 21 |
| Complexity | 686.36365 |
Chemical Identifiers
| CAS Number | 445013-43-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea (CAS 445013-43-4), with molecular formula C14H12ClN3O3 and molecular weight 305.06 g/mol. IUPAC: 1-(4-chloro-3-nitrophenyl)-3-(4-methylphenyl)urea.
Chemical Property Profile of 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea
Property Insights of 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea
The XLogP value of 4.20062 indicates that 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)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-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea. Following Lipinski's Rule of Five, 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)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-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea?
The CAS number of 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea is 445013-43-4.
What is the molecular formula of 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea?
The molecular formula of 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea is C14H12ClN3O3.
What is the molecular weight of 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea?
The molecular weight of 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea is 305.06 g/mol.
Where can I buy 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea?
You can request a quote for 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)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-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloro-3-nitrophenyl)-3-(4-methylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.