Allylurea
TL;DR: Allylurea (CAS 557-11-9) is a chemical compound with molecular formula C4H8N2O and molecular weight 100.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enylurea
Also Known As: Allylurea, N-Allylurea, 1-Allylurea, Allylcarbamide, Monoallylurea
| Molecular Formula | C4H8N2O |
|---|---|
| Molecular Weight | 100.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.06366 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
| Melting Point | 162 to 73.9 °C |
| Solubility | greater than or equal to 100 mg/mL at 67.1 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 557-11-9 |
|---|---|
| SMILES | C=CCNC(=O)N |
| InChIKey | VPJDULFXCAQHRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allylurea (CAS 557-11-9), with molecular formula C4H8N2O and molecular weight 100.06 g/mol. IUPAC: prop-2-enylurea.
Chemical Property Profile of Allylurea
Property Insights of Allylurea
The XLogP value of -0.4 indicates that Allylurea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.1 Ų, Allylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylurea has 2 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 Allylurea?
The CAS number of Allylurea is 557-11-9.
What is the molecular formula of Allylurea?
The molecular formula of Allylurea is C4H8N2O.
What is the molecular weight of Allylurea?
The molecular weight of Allylurea is 100.06 g/mol.
Where can I buy Allylurea?
You can request a quote for Allylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allylurea?
Yes, KEHONG BIO provides custom synthesis services for Allylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.