Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate
TL;DR: Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate (CAS 142238-05-9) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate
Also Known As: 1-(tert-butoxycarbonyl)-3-(2-propynyl)-2-imidazolidone, Tert-butyl 2-oxo-3-prop-2-ynyl-imidazolidine-1-carboxylate, tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate, InChI=1/C11H16N2O3/c1-5-6-12-7-8-13(9(12)14)10(15)16-11(2,3)4/h1H,6-8H2,2-4H
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 1.2923 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 338.1193 |
Chemical Identifiers
| CAS Number | 142238-05-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCN(C1=O)CC#C |
Product Overview
Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate (CAS 142238-05-9), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate.
Chemical Property Profile of Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate
Property Insights of Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate
The XLogP value of 1.2923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate. With a topological polar surface area (TPSA) of 49.85 Ų, Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-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 Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate?
The CAS number of Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate is 142238-05-9.
What is the molecular formula of Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate?
The molecular formula of Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate is C11H16N2O3.
What is the molecular weight of Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate?
The molecular weight of Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate is 224.12 g/mol.
Where can I buy Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate?
You can request a quote for Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-oxo-3-prop-2-ynylimidazolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.