![1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea structure](/static/products/5907/5907-72-2.webp)
1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
TL;DR: 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea (CAS 5907-72-2) is a chemical compound with molecular formula C27H27N5O2 and molecular weight 453.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
Also Known As: 1-(3-cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea, 3-(3-cyanophenyl)-1-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea, N-(3-Cyanophenyl)-N'-(4-{4-[(3-methylphenyl)acetyl]piperazin-1-yl}phenyl)urea
| Molecular Formula | C27H27N5O2 |
|---|---|
| Molecular Weight | 453.22 g/mol |
| LogP | 4.402 |
| Topological Polar Surface Area | 88.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.21646 |
| Heavy Atoms | 34 |
| Complexity | 1208.1902 |
Chemical Identifiers
| CAS Number | 5907-72-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CC(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C#N |
Product Overview
1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea (CAS 5907-72-2), with molecular formula C27H27N5O2 and molecular weight 453.22 g/mol. IUPAC: 1-(3-cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea.
Chemical Property Profile of 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
Property Insights of 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea
The XLogP value of 4.402 indicates that 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea. Following Lipinski's Rule of Five, 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea has 2 hydrogen bond donor(s) and 4 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-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea?
The CAS number of 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea is 5907-72-2.
What is the molecular formula of 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea?
The molecular formula of 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea is C27H27N5O2.
What is the molecular weight of 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea?
The molecular weight of 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea is 453.22 g/mol.
Where can I buy 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea?
You can request a quote for 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]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-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Cyanophenyl)-3-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.