Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-
TL;DR: Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- (CAS 27151-60-6) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-phenylaziridin-2-one
Also Known As: 1-tert-butyl-3-phenylaziridin-2-one, N-t-butyl-3-phenylaziridinone, 1-t-butyl-3-phenylaziridin-2-one, 1-tert-Butyl-3-phenylaziridinone, 2-Aziridinone, 1-tert-butyl-3-phenyl-
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 20.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 27151-60-6 |
|---|---|
| SMILES | CC(C)(C)N1C(C1=O)C2=CC=CC=C2 |
| InChIKey | YAPHYPMDFHBPJE-UHFFFAOYSA-N |
Product Overview
Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- (CAS 27151-60-6), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 1-tert-butyl-3-phenylaziridin-2-one.
Chemical Property Profile of Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-
Property Insights of Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-. With a topological polar surface area (TPSA) of 20.1 Ų, Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- has 0 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 Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-?
The CAS number of Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- is 27151-60-6.
What is the molecular formula of Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-?
The molecular formula of Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- is C12H15NO.
What is the molecular weight of Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-?
The molecular weight of Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- is 189.12 g/mol.
Where can I buy Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-?
You can request a quote for Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Aziridinone, 1-(1,1-dimethylethyl)-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.