trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate
TL;DR: trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate (CAS 150884-56-3) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl (3S)-3-(4-cyanophenyl)oxaziridine-2-carboxylate
Also Known As: 4-(2-Boc-1,2-oxaziridin-3-yl)benzonitrile, trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate, tert-butyl (3S)-3-(4-cyanophenyl)oxaziridine-2-carboxylate, trans-tert-Butyl3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate, (2R,3S)-rel-2-Oxaziridinecarboxylic acid-3-(4-cyanophenyl)-1,1-dimethylethyl ester
Technical Specifications
| Molecular Formula | C13H14N2O3 |
| Molecular Weight | 246.10045 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.10045 Da |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
| SMILES | CC(C)(C)OC(=O)N1[C@@H](O1)C2=CC=C(C=C2)C#N |
| InChIKey | ACXPNVRTMHEHMQ-VPHXOMNUSA-N |
Chemical Property Profile of trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate
Property Insights of trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate. Following Lipinski's Rule of Five, trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate?
The CAS number of trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate is 150884-56-3.
What is the molecular formula of trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate?
The molecular formula of trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate is C13H14N2O3.
What is the molecular weight of trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate?
The molecular weight of trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate is 246.10045 g/mol.
Where can I buy trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate?
You can request a quote for trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for trans-tert-Butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.