2-(1,1-Dimethylethyl)-3-phenyloxaziridine
TL;DR: 2-(1,1-Dimethylethyl)-3-phenyloxaziridine (CAS 7731-34-2) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-3-phenyloxaziridine
Also Known As: 2-tert-Butyl-3-phenyloxaziridine, TBPO cpd, 2-t-butyl-3-phenyloxazirane, alpha-Phenyl-N-tert-butyloxaziridine, 2-t-Butyl-3-Phenyloxaziridine
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 15.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 7731-34-2 |
|---|---|
| SMILES | CC(C)(C)N1C(O1)C2=CC=CC=C2 |
| InChIKey | YFBUTSZDUOMTAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,1-Dimethylethyl)-3-phenyloxaziridine (CAS 7731-34-2), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 2-tert-butyl-3-phenyloxaziridine.
Chemical Property Profile of 2-(1,1-Dimethylethyl)-3-phenyloxaziridine
Property Insights of 2-(1,1-Dimethylethyl)-3-phenyloxaziridine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dimethylethyl)-3-phenyloxaziridine. With a topological polar surface area (TPSA) of 15.5 Ų, 2-(1,1-Dimethylethyl)-3-phenyloxaziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,1-Dimethylethyl)-3-phenyloxaziridine has 0 hydrogen bond donor(s) and 2 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 2-(1,1-Dimethylethyl)-3-phenyloxaziridine?
The CAS number of 2-(1,1-Dimethylethyl)-3-phenyloxaziridine is 7731-34-2.
What is the molecular formula of 2-(1,1-Dimethylethyl)-3-phenyloxaziridine?
The molecular formula of 2-(1,1-Dimethylethyl)-3-phenyloxaziridine is C11H15NO.
What is the molecular weight of 2-(1,1-Dimethylethyl)-3-phenyloxaziridine?
The molecular weight of 2-(1,1-Dimethylethyl)-3-phenyloxaziridine is 177.12 g/mol.
Where can I buy 2-(1,1-Dimethylethyl)-3-phenyloxaziridine?
You can request a quote for 2-(1,1-Dimethylethyl)-3-phenyloxaziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dimethylethyl)-3-phenyloxaziridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dimethylethyl)-3-phenyloxaziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.