Allylurea
TL;DR: Allylurea (CAS 557-11-9) is a chemical compound with molecular formula C4H8N2O and molecular weight 100.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enylurea
Also Known As: Allylurea, N-Allylurea, 1-Allylurea, Allylcarbamide, Monoallylurea
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8N2O |
| Molecular Weight | 100.06366 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.06366 Da |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
| Melting Point | 162 to 165 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 67.1 °F (NTP, 1992) |
| SMILES | C=CCNC(=O)N |
| InChIKey | VPJDULFXCAQHRC-UHFFFAOYSA-N |
Product Description
Applications: Allylurea is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Allylurea (CAS 557-11-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Allylurea (CAS 557-11-9) has the molecular formula C4H8N2O and a molecular weight of 100.06 g/mol. Reported properties include a solubility: greater than or equal to 100 mg/mL at 67.1 °F (NTP, 1992). It is also known as Allylurea and N-Allylurea.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 100.06366 g/mol.
What are the applications of Allylurea?
Allylurea is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Allylurea (CAS 557-11-9) with custom...
Where can I buy Allylurea?
You can request a quote for Allylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allylurea?
Yes, CoreyChem provides custom synthesis services for Allylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.