1,1-Diallyl-3-phenylurea
TL;DR: 1,1-Diallyl-3-phenylurea (CAS 100615-32-5) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,1-bis(prop-2-enyl)urea
Also Known As: 1,1-Diallyl-3-phenylurea, N,N-diallyl-N'-phenylurea, 1,1-DIALLYL-3-PHENYL UREA, N,N-Diallyl-N -phenylurea, 3-phenyl-1,1-bis(prop-2-enyl)urea
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 100615-32-5 |
|---|---|
| SMILES | C=CCN(CC=C)C(=O)NC1=CC=CC=C1 |
| InChIKey | WTNHSTMLXCXNDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diallyl-3-phenylurea (CAS 100615-32-5), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 3-phenyl-1,1-bis(prop-2-enyl)urea.
Chemical Property Profile of 1,1-Diallyl-3-phenylurea
Property Insights of 1,1-Diallyl-3-phenylurea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diallyl-3-phenylurea. With a topological polar surface area (TPSA) of 32.3 Ų, 1,1-Diallyl-3-phenylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diallyl-3-phenylurea 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-phenylurea?
The CAS number of 1,1-Diallyl-3-phenylurea is 100615-32-5.
What is the molecular formula of 1,1-Diallyl-3-phenylurea?
The molecular formula of 1,1-Diallyl-3-phenylurea is C13H16N2O.
What is the molecular weight of 1,1-Diallyl-3-phenylurea?
The molecular weight of 1,1-Diallyl-3-phenylurea is 216.13 g/mol.
Where can I buy 1,1-Diallyl-3-phenylurea?
You can request a quote for 1,1-Diallyl-3-phenylurea 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-phenylurea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diallyl-3-phenylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.