1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)
TL;DR: 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) (CAS 3538-68-9) is a chemical compound with molecular formula C14H20N4O8 and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-3-methylazetidin-3-ol;2,4,6-trinitrophenol
Also Known As: 1-tert-butyl-3-methylazetidin-3-ol- 2,4,6-trinitrophenol(1:1), 1-tert-butyl-3-methylazetidin-3-ol,2,4,6-trinitrophenol, 1-tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1), 1-tert-butyl-3-methylazetidin-3-ol; 2,4,6-trinitrophenol, 1-tert-Butyl-3-methylazetidin-3-ol--2,4,6-trinitrophenol (1/1)
| Molecular Formula | C14H20N4O8 |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 1.9683 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 372.1281 |
| Heavy Atoms | 26 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 3538-68-9 |
|---|---|
| SMILES | CC1(CN(C1)C(C)(C)C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | GRRMSYWTTFAKMG-UHFFFAOYSA-N |
Product Overview
1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) (CAS 3538-68-9), with molecular formula C14H20N4O8 and molecular weight 372.13 g/mol. IUPAC: 1-tert-butyl-3-methylazetidin-3-ol;2,4,6-trinitrophenol.
Chemical Property Profile of 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)
Property Insights of 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)
The XLogP value of 1.9683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1). The TPSA of 181.0 Ų indicates high polarity, suggesting 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) has 2 hydrogen bond donor(s) and 9 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-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)?
The CAS number of 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) is 3538-68-9.
What is the molecular formula of 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)?
The molecular formula of 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) is C14H20N4O8.
What is the molecular weight of 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)?
The molecular weight of 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) is 372.13 g/mol.
Where can I buy 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)?
You can request a quote for 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butyl-3-methylazetidin-3-ol-2,4,6-trinitrophenol(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.