2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine
TL;DR: 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine (CAS 23921-86-0) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine
Also Known As: 4-Brom-acenaphthylen, 2-tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine, Oxaziridine,3-(3,4-dimethoxyphenyl)-2-(1,1-dimethylethyl)-
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 34.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 23921-86-0 |
|---|---|
| SMILES | CC(C)(C)N1C(O1)C2=CC(=C(C=C2)OC)OC |
| InChIKey | VYTBNEZSJQCBGH-UHFFFAOYSA-N |
Product Overview
2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine (CAS 23921-86-0), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: 2-tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine.
Chemical Property Profile of 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine
Property Insights of 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine. With a topological polar surface area (TPSA) of 34.0 Ų, 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-3-(3,4-dimethoxyphenyl)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 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine?
The CAS number of 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine is 23921-86-0.
What is the molecular formula of 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine?
The molecular formula of 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine is C13H19NO3.
What is the molecular weight of 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine?
The molecular weight of 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine is 237.14 g/mol.
Where can I buy 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine?
You can request a quote for 2-Tert-butyl-3-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)oxaziridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-3-(3,4-dimethoxyphenyl)oxaziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.