1-(3,3-Diethyloxiran-2-yl)benzotriazole
TL;DR: 1-(3,3-Diethyloxiran-2-yl)benzotriazole (CAS 495401-34-8) is a chemical compound with molecular formula C12H15N3O and molecular weight 217.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3-diethyloxiran-2-yl)benzotriazole
Also Known As: 1-(3,3-diethyloxiran-2-yl)benzotriazole, 1-(3,3-Diethyloxiranyl)-1H-benzotriazole, J1.868.843C, 1-(3,3-diethyloxiran-2-yl)-1H-1,2,3-benzotriazole, 1H-Benzotriazole, 1-(3,3-diethyloxiranyl)- (9CI)
| Molecular Formula | C12H15N3O |
|---|---|
| Molecular Weight | 217.12 g/mol |
| LogP | 2.5189 |
| Topological Polar Surface Area | 43.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.1215 |
| Heavy Atoms | 16 |
| Complexity | 515.71313 |
Chemical Identifiers
| CAS Number | 495401-34-8 |
|---|---|
| SMILES | CCC1(C(O1)N2C3=CC=CC=C3N=N2)CC |
Product Overview
1-(3,3-Diethyloxiran-2-yl)benzotriazole (CAS 495401-34-8), with molecular formula C12H15N3O and molecular weight 217.12 g/mol. IUPAC: 1-(3,3-diethyloxiran-2-yl)benzotriazole.
Chemical Property Profile of 1-(3,3-Diethyloxiran-2-yl)benzotriazole
Property Insights of 1-(3,3-Diethyloxiran-2-yl)benzotriazole
The XLogP value of 2.5189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,3-Diethyloxiran-2-yl)benzotriazole. With a topological polar surface area (TPSA) of 43.24 Ų, 1-(3,3-Diethyloxiran-2-yl)benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,3-Diethyloxiran-2-yl)benzotriazole has 0 hydrogen bond donor(s) and 3 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-(3,3-Diethyloxiran-2-yl)benzotriazole?
The CAS number of 1-(3,3-Diethyloxiran-2-yl)benzotriazole is 495401-34-8.
What is the molecular formula of 1-(3,3-Diethyloxiran-2-yl)benzotriazole?
The molecular formula of 1-(3,3-Diethyloxiran-2-yl)benzotriazole is C12H15N3O.
What is the molecular weight of 1-(3,3-Diethyloxiran-2-yl)benzotriazole?
The molecular weight of 1-(3,3-Diethyloxiran-2-yl)benzotriazole is 217.12 g/mol.
Where can I buy 1-(3,3-Diethyloxiran-2-yl)benzotriazole?
You can request a quote for 1-(3,3-Diethyloxiran-2-yl)benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,3-Diethyloxiran-2-yl)benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,3-Diethyloxiran-2-yl)benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.