N-Boc-3-(4-cyanophenyl)oxaziridine
TL;DR: N-Boc-3-(4-cyanophenyl)oxaziridine (CAS 158807-35-3) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 3-(4-cyanophenyl)oxaziridine-2-carboxylate
Also Known As: N-BOC-3-(4-CYANOPHENYL)OXAZIRIDINE, tert-butyl 3-(4-cyanophenyl)oxaziridine-2-carboxylate, tert-butyl 3-(4-cyanophenyl)-1,2-oxaziridine-2-carboxylate, N-Boc-3-(4-cyanophenyl)oxairidine, 4-(2-Boc-1,2-oxaziridin-3-yl)benzonitrile
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.73918 |
| Topological Polar Surface Area | 65.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 496.45303 |
Chemical Identifiers
| CAS Number | 158807-35-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C(O1)C2=CC=C(C=C2)C#N |
Product Overview
N-Boc-3-(4-cyanophenyl)oxaziridine (CAS 158807-35-3), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: tert-butyl 3-(4-cyanophenyl)oxaziridine-2-carboxylate.
Chemical Property Profile of N-Boc-3-(4-cyanophenyl)oxaziridine
Property Insights of N-Boc-3-(4-cyanophenyl)oxaziridine
The XLogP value of 2.73918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Boc-3-(4-cyanophenyl)oxaziridine. The TPSA of 65.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Boc-3-(4-cyanophenyl)oxaziridine. Following Lipinski's Rule of Five, N-Boc-3-(4-cyanophenyl)oxaziridine 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
Frequently Asked Questions
What is the CAS number of N-Boc-3-(4-cyanophenyl)oxaziridine?
The CAS number of N-Boc-3-(4-cyanophenyl)oxaziridine is 158807-35-3.
What is the molecular formula of N-Boc-3-(4-cyanophenyl)oxaziridine?
The molecular formula of N-Boc-3-(4-cyanophenyl)oxaziridine is C13H14N2O3.
What is the molecular weight of N-Boc-3-(4-cyanophenyl)oxaziridine?
The molecular weight of N-Boc-3-(4-cyanophenyl)oxaziridine is 246.10 g/mol.
Where can I buy N-Boc-3-(4-cyanophenyl)oxaziridine?
You can request a quote for N-Boc-3-(4-cyanophenyl)oxaziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-3-(4-cyanophenyl)oxaziridine?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-3-(4-cyanophenyl)oxaziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.