3-(4-Chlorophenyl)-1,1-diallylurea
TL;DR: 3-(4-Chlorophenyl)-1,1-diallylurea (CAS 52696-90-9) is a chemical compound with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1,1-bis(prop-2-enyl)urea
Also Known As: 3-(4-CHLOROPHENYL)-1,1-DIALLYLUREA, 3-(4-chlorophenyl)-1,1-diprop-2-enyl-urea, 3-(4-chlorophenyl)-1,1-bis(prop-2-enyl)urea, 1-(4-chlorophenyl)-3,3-bis(prop-2-en-1-yl)urea, [(4-chlorophenyl)amino]-N,N-diprop-2-enylcarboxamide
| Molecular Formula | C13H15ClN2O |
|---|---|
| Molecular Weight | 250.09 g/mol |
| LogP | 3.5459 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.0873 |
| Heavy Atoms | 17 |
| Complexity | 390.3854 |
Chemical Identifiers
| CAS Number | 52696-90-9 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)NC1=CC=C(C=C1)Cl |
Product Overview
3-(4-Chlorophenyl)-1,1-diallylurea (CAS 52696-90-9), with molecular formula C13H15ClN2O and molecular weight 250.09 g/mol. IUPAC: 3-(4-chlorophenyl)-1,1-bis(prop-2-enyl)urea.
Chemical Property Profile of 3-(4-Chlorophenyl)-1,1-diallylurea
Property Insights of 3-(4-Chlorophenyl)-1,1-diallylurea
The XLogP value of 3.5459 indicates that 3-(4-Chlorophenyl)-1,1-diallylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.34 Ų, 3-(4-Chlorophenyl)-1,1-diallylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-1,1-diallylurea 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 3-(4-Chlorophenyl)-1,1-diallylurea?
The CAS number of 3-(4-Chlorophenyl)-1,1-diallylurea is 52696-90-9.
What is the molecular formula of 3-(4-Chlorophenyl)-1,1-diallylurea?
The molecular formula of 3-(4-Chlorophenyl)-1,1-diallylurea is C13H15ClN2O.
What is the molecular weight of 3-(4-Chlorophenyl)-1,1-diallylurea?
The molecular weight of 3-(4-Chlorophenyl)-1,1-diallylurea is 250.09 g/mol.
Where can I buy 3-(4-Chlorophenyl)-1,1-diallylurea?
You can request a quote for 3-(4-Chlorophenyl)-1,1-diallylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-1,1-diallylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-1,1-diallylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.