1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone
TL;DR: 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone (CAS 74646-09-6) is a chemical compound with molecular formula C10H17BO3 and molecular weight 196.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone
Also Known As: 1-(2-ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone, 1-[2-ethyl-4-methyl-5-(prop-1-en-2-yl)-1,3,2-dioxaborolan-4-yl]ethan-1-one, Ethanone, 1-[2-ethyl-4-methyl-5-(1-methylethenyl)-1,3,2-dioxaborolan-4-yl]-, 1-(2-Ethyl-5-isopropenyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone, 1-(2-Ethyl-5-isopropenyl-4-methyl-1,3,2-dioxaborolan-4-yl)ethanone #
| Molecular Formula | C10H17BO3 |
|---|---|
| Molecular Weight | 196.13 g/mol |
| LogP | 1.8337 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.12708 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 74646-09-6 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C(=O)C)C(=C)C)CC |
| InChIKey | ZEVSGLWMBHPEKL-UHFFFAOYSA-N |
Product Overview
1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone (CAS 74646-09-6), with molecular formula C10H17BO3 and molecular weight 196.13 g/mol. IUPAC: 1-(2-ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone.
Chemical Property Profile of 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone
Property Insights of 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone
The XLogP value of 1.8337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-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-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone?
The CAS number of 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone is 74646-09-6.
What is the molecular formula of 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone?
The molecular formula of 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone is C10H17BO3.
What is the molecular weight of 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone?
The molecular weight of 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone is 196.13 g/mol.
Where can I buy 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone?
You can request a quote for 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-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-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Ethyl-4-methyl-5-prop-1-en-2-yl-1,3,2-dioxaborolan-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.