1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone
TL;DR: 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone (CAS 74646-07-4) is a chemical compound with molecular formula C11H21BO3 and molecular weight 212.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-tert-butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone
Also Known As: 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone, 1-(5-tert-butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethan-1-one, Ethanone, 1-[5-(1,1-dimethylethyl)-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl]-, 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone #, 1-[5-(1,1-Dimethylethyl)-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl]ethanone
| Molecular Formula | C11H21BO3 |
|---|---|
| Molecular Weight | 212.16 g/mol |
| LogP | 2.3037 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.15837 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 74646-07-4 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C(=O)C)C(C)(C)C)CC |
| InChIKey | YMHZUEBGEFQYSG-UHFFFAOYSA-N |
Product Overview
1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone (CAS 74646-07-4), with molecular formula C11H21BO3 and molecular weight 212.16 g/mol. IUPAC: 1-(5-tert-butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone.
Chemical Property Profile of 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone
Property Insights of 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone
The XLogP value of 2.3037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone 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-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone?
The CAS number of 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone is 74646-07-4.
What is the molecular formula of 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone?
The molecular formula of 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone is C11H21BO3.
What is the molecular weight of 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone?
The molecular weight of 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone is 212.16 g/mol.
Where can I buy 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone?
You can request a quote for 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-tert-Butyl-2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.