Allylisopropylacetylurea
TL;DR: Allylisopropylacetylurea (CAS 528-92-7) is a chemical compound with molecular formula C9H16N2O2 and molecular weight 184.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-carbamoyl-2-propan-2-ylpent-4-enamide
Also Known As: Apronal, Allylisopropylacetylurea, Isodormid, Sedormid, (2-Isopropyl-4-pentenoyl)urea
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16N2O2 |
| Molecular Weight | 184.12119 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.12119 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | CC(C)C(CC=C)C(=O)NC(=O)N |
| InChIKey | KSUUMAWCGDNLFK-UHFFFAOYSA-N |
Product Description
Applications: Allylisopropylacetylurea is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Allylisopropylacetylurea (CAS 528-92-7) is a pharmaceutical intermediate with the molecular formula C9H16N2O2 and a molecular weight of 184.12 g/mol. Synonyms include Apronal and Allylisopropylacetylurea.
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 Allylisopropylacetylurea
Property Insights of Allylisopropylacetylurea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allylisopropylacetylurea. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Allylisopropylacetylurea. Following Lipinski's Rule of Five, Allylisopropylacetylurea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Allylisopropylacetylurea?
The CAS number of Allylisopropylacetylurea is 528-92-7.
What is the molecular formula of Allylisopropylacetylurea?
The molecular formula of Allylisopropylacetylurea is C9H16N2O2.
What is the molecular weight of Allylisopropylacetylurea?
The molecular weight of Allylisopropylacetylurea is 184.12119 g/mol.
What are the applications of Allylisopropylacetylurea?
Allylisopropylacetylurea is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Allylisopropylacetylurea?
You can request a quote for Allylisopropylacetylurea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allylisopropylacetylurea?
Yes, CoreyChem provides custom synthesis services for Allylisopropylacetylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.