Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
TL;DR: Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate (CAS 119906-46-6) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
Also Known As: Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate, (S)-Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate, (R)-1-Z-2-tert-butyl-3-methyl-4-imidazolidinone, (S)-1-Z-2-tert-Butyl-3-methyl-4-imidazolidinone, benzyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
| Molecular Formula | C16H22N2O3 |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.16306 |
| Heavy Atoms | 21 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 119906-46-6 |
|---|---|
| SMILES | CC(C)(C)C1N(C(=O)CN1C(=O)OCC2=CC=CC=C2)C |
| InChIKey | TZEQABAXFGVJED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate (CAS 119906-46-6), with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol. IUPAC: benzyl 2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate.
Chemical Property Profile of Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
Property Insights of Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate. With a topological polar surface area (TPSA) of 49.9 Ų, Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
The CAS number of Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate is 119906-46-6.
What is the molecular formula of Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
The molecular formula of Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate is C16H22N2O3.
What is the molecular weight of Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
The molecular weight of Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate is 290.16 g/mol.
Where can I buy Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
You can request a quote for Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-(tert-butyl)-3-methyl-4-oxoimidazolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.