Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-
TL;DR: Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- (CAS 74646-02-9) is a chemical compound with molecular formula C7H13BO3 and molecular weight 156.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone
Also Known As: 1- ETHANONE, 1-(2-Ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone, Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethan-1-one, 1-(2-Ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone #
| Molecular Formula | C7H13BO3 |
|---|---|
| Molecular Weight | 156.10 g/mol |
| LogP | 0.889 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.09578 |
| Heavy Atoms | 11 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 74646-02-9 |
|---|---|
| SMILES | B1(OCC(O1)(C)C(=O)C)CC |
| InChIKey | LDHAZYZUZOVNMD-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- (CAS 74646-02-9), with molecular formula C7H13BO3 and molecular weight 156.10 g/mol. IUPAC: 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-
Property Insights of Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-
The XLogP value of 0.889 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-. With a topological polar surface area (TPSA) of 35.5 Ų, Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- 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 Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-?
The CAS number of Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- is 74646-02-9.
What is the molecular formula of Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-?
The molecular formula of Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- is C7H13BO3.
What is the molecular weight of Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-?
The molecular weight of Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- is 156.10 g/mol.
Where can I buy Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-?
You can request a quote for Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(2-ethyl-4-methyl-1,3,2-dioxaborolan-4-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.