2-Methyl-3-phenyloxaziridine
TL;DR: 2-Methyl-3-phenyloxaziridine (CAS 3400-12-2) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-phenyloxaziridine
Also Known As: 2-methyl-3-phenyloxaziridine, Oxaziridine, 2-methyl-3-phenyl-, 2-methyl-3-phenyl-oxaziridine, RefChem:1063724
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 15.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 3400-12-2 |
|---|---|
| SMILES | CN1C(O1)C2=CC=CC=C2 |
| InChIKey | GDAZZZLHHSQPOQ-UHFFFAOYSA-N |
Product Overview
2-Methyl-3-phenyloxaziridine (CAS 3400-12-2), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 2-methyl-3-phenyloxaziridine.
Chemical Property Profile of 2-Methyl-3-phenyloxaziridine
Property Insights of 2-Methyl-3-phenyloxaziridine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-phenyloxaziridine. With a topological polar surface area (TPSA) of 15.5 Ų, 2-Methyl-3-phenyloxaziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-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-Methyl-3-phenyloxaziridine?
The CAS number of 2-Methyl-3-phenyloxaziridine is 3400-12-2.
What is the molecular formula of 2-Methyl-3-phenyloxaziridine?
The molecular formula of 2-Methyl-3-phenyloxaziridine is C8H9NO.
What is the molecular weight of 2-Methyl-3-phenyloxaziridine?
The molecular weight of 2-Methyl-3-phenyloxaziridine is 135.07 g/mol.
Where can I buy 2-Methyl-3-phenyloxaziridine?
You can request a quote for 2-Methyl-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-Methyl-3-phenyloxaziridine?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-phenyloxaziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.