3-(4-Aminophenyl)-1-(4-chlorophenyl)urea
TL;DR: 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea (CAS 50906-33-7) is a chemical compound with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)-3-(4-chlorophenyl)urea
Also Known As: 3-(4-aminophenyl)-1-(4-chlorophenyl)urea, 1-(4-aminophenyl)-3-(4-chlorophenyl)urea, 1,1,2,2-Tetramethylbuttersaeuremethylester, N-(4-Aminophenyl)-N'-(4-chlorophenyl)urea, Urea, N-(4-aminophenyl)-N'-(4-chlorophenyl)-
| Molecular Formula | C13H12ClN3O |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0669 |
| Heavy Atoms | 18 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 50906-33-7 |
|---|---|
| SMILES | C1=CC(=CC=C1N)NC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | FSPSGXONYSJIKK-UHFFFAOYSA-N |
Product Overview
3-(4-Aminophenyl)-1-(4-chlorophenyl)urea (CAS 50906-33-7), with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol. IUPAC: 1-(4-aminophenyl)-3-(4-chlorophenyl)urea.
Chemical Property Profile of 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea
Property Insights of 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea. Following Lipinski's Rule of Five, 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea has 3 hydrogen bond donor(s) and 2 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 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea?
The CAS number of 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea is 50906-33-7.
What is the molecular formula of 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea?
The molecular formula of 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea is C13H12ClN3O.
What is the molecular weight of 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea?
The molecular weight of 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea is 261.07 g/mol.
Where can I buy 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea?
You can request a quote for 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Aminophenyl)-1-(4-chlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.