1-Benzyl-2-tert-butyl-3-methylaziridine
TL;DR: 1-Benzyl-2-tert-butyl-3-methylaziridine (CAS 55712-34-0) is a chemical compound with molecular formula C14H21N and molecular weight 203.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-2-tert-butyl-3-methylaziridine
Also Known As: 1-Benzyl-2-tert-butyl-3-methylaziridine, 5,7-Nonadienoic acid,9-oxo, 1-Benzyl-2-tert-butyl-3-methylaziridine #, Aziridine, 2-(1,1-dimethylethyl)-3-methyl-1-(phenylmethyl)-, RefChem:227976
| Molecular Formula | C14H21N |
|---|---|
| Molecular Weight | 203.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 3.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.1674 |
| Heavy Atoms | 15 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 55712-34-0 |
|---|---|
| SMILES | CC1C(N1CC2=CC=CC=C2)C(C)(C)C |
| InChIKey | AOKWXNADPOWMEJ-UHFFFAOYSA-N |
Product Overview
1-Benzyl-2-tert-butyl-3-methylaziridine (CAS 55712-34-0), with molecular formula C14H21N and molecular weight 203.17 g/mol. IUPAC: 1-benzyl-2-tert-butyl-3-methylaziridine.
Chemical Property Profile of 1-Benzyl-2-tert-butyl-3-methylaziridine
Property Insights of 1-Benzyl-2-tert-butyl-3-methylaziridine
The XLogP value of 3.8 indicates that 1-Benzyl-2-tert-butyl-3-methylaziridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.0 Ų, 1-Benzyl-2-tert-butyl-3-methylaziridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-2-tert-butyl-3-methylaziridine has 0 hydrogen bond donor(s) and 1 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 1-Benzyl-2-tert-butyl-3-methylaziridine?
The CAS number of 1-Benzyl-2-tert-butyl-3-methylaziridine is 55712-34-0.
What is the molecular formula of 1-Benzyl-2-tert-butyl-3-methylaziridine?
The molecular formula of 1-Benzyl-2-tert-butyl-3-methylaziridine is C14H21N.
What is the molecular weight of 1-Benzyl-2-tert-butyl-3-methylaziridine?
The molecular weight of 1-Benzyl-2-tert-butyl-3-methylaziridine is 203.17 g/mol.
Where can I buy 1-Benzyl-2-tert-butyl-3-methylaziridine?
You can request a quote for 1-Benzyl-2-tert-butyl-3-methylaziridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2-tert-butyl-3-methylaziridine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2-tert-butyl-3-methylaziridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.