1,1-Diallyl-3-(3,4-dichlorophenyl)urea
TL;DR: 1,1-Diallyl-3-(3,4-dichlorophenyl)urea (CAS 52696-84-1) is a chemical compound with molecular formula C13H14Cl2N2O and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dichlorophenyl)-1,1-bis(prop-2-enyl)urea
Also Known As: 1,1-Diallyl-3-(3,4-dichlorophenyl)urea, 3-(3,4-dichlorophenyl)-1,1-diprop-2-enyl-urea, 3-(3,4-dichlorophenyl)-1,1-bis(prop-2-enyl)urea, 1-(3,4-dichlorophenyl)-3,3-bis(prop-2-en-1-yl)urea, [(3,4-dichlorophenyl)amino]-N,N-diprop-2-enylcarboxamide
| Molecular Formula | C13H14Cl2N2O |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 4.1993 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.0483 |
| Heavy Atoms | 18 |
| Complexity | 450.3045 |
Chemical Identifiers
| CAS Number | 52696-84-1 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)NC1=CC(=C(C=C1)Cl)Cl |
Product Overview
1,1-Diallyl-3-(3,4-dichlorophenyl)urea (CAS 52696-84-1), with molecular formula C13H14Cl2N2O and molecular weight 284.05 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-1,1-bis(prop-2-enyl)urea.
Chemical Property Profile of 1,1-Diallyl-3-(3,4-dichlorophenyl)urea
Property Insights of 1,1-Diallyl-3-(3,4-dichlorophenyl)urea
The XLogP value of 4.1993 indicates that 1,1-Diallyl-3-(3,4-dichlorophenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 1,1-Diallyl-3-(3,4-dichlorophenyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diallyl-3-(3,4-dichlorophenyl)urea has 1 hydrogen bond donor(s) and 1 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 1,1-Diallyl-3-(3,4-dichlorophenyl)urea?
The CAS number of 1,1-Diallyl-3-(3,4-dichlorophenyl)urea is 52696-84-1.
What is the molecular formula of 1,1-Diallyl-3-(3,4-dichlorophenyl)urea?
The molecular formula of 1,1-Diallyl-3-(3,4-dichlorophenyl)urea is C13H14Cl2N2O.
What is the molecular weight of 1,1-Diallyl-3-(3,4-dichlorophenyl)urea?
The molecular weight of 1,1-Diallyl-3-(3,4-dichlorophenyl)urea is 284.05 g/mol.
Where can I buy 1,1-Diallyl-3-(3,4-dichlorophenyl)urea?
You can request a quote for 1,1-Diallyl-3-(3,4-dichlorophenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diallyl-3-(3,4-dichlorophenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diallyl-3-(3,4-dichlorophenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.