2-Tert-butyl-3-(4-chlorophenyl)oxaziridine
TL;DR: 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine (CAS 82044-40-4) is a chemical compound with molecular formula C11H14ClNO and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-3-(4-chlorophenyl)oxaziridine
Also Known As: 2-tert-butyl-3-(4-chlorophenyl)oxaziridine, 2-tert-butyl-3-(p-chlorophenyl)oxaziridine, 2-(tert-Butyl)-3-(4-chlorophenyl)oxaziridine, Oxaziridine,3-(4-chlorophenyl)-2-(1,1-dimethylethyl)-, Oxaziridine, 3-(4-chlorophenyl)-2-(1,1-dimethylethyl)-
| Molecular Formula | C11H14ClNO |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 15.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.07639 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 82044-40-4 |
|---|---|
| SMILES | CC(C)(C)N1C(O1)C2=CC=C(C=C2)Cl |
| InChIKey | KMWYLOSTYMJTFP-UHFFFAOYSA-N |
Product Overview
2-Tert-butyl-3-(4-chlorophenyl)oxaziridine (CAS 82044-40-4), with molecular formula C11H14ClNO and molecular weight 211.08 g/mol. IUPAC: 2-tert-butyl-3-(4-chlorophenyl)oxaziridine.
Chemical Property Profile of 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine
Property Insights of 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine
The XLogP value of 3.3 indicates that 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.5 Ų, 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine 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-Tert-butyl-3-(4-chlorophenyl)oxaziridine?
The CAS number of 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine is 82044-40-4.
What is the molecular formula of 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine?
The molecular formula of 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine is C11H14ClNO.
What is the molecular weight of 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine?
The molecular weight of 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine is 211.08 g/mol.
Where can I buy 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine?
You can request a quote for 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-3-(4-chlorophenyl)oxaziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.