2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane
TL;DR: 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane (CAS 174584-72-6) is a chemical compound with molecular formula C7H11BO2 and molecular weight 138.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethynyl-5,5-dimethyl-1,3,2-dioxaborinane
Also Known As: 2-ethynyl-5,5-dimethyl-1,3,2-dioxaborinane, 1,3,2-dioxaborinane, 2-ethynyl-5,5-dimethyl-, 2-Ethynyl-5,5-dimethyldihydro-4H-1,3,2-dioxaborin, RefChem:260752, InChI=1/C7H11BO2/c1-4-8-9-5-7(2,3)6-10-8/h1H,5-6H2,2-3H
| Molecular Formula | C7H11BO2 |
|---|---|
| Molecular Weight | 138.09 g/mol |
| LogP | 0.72 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.0852 |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 174584-72-6 |
|---|---|
| SMILES | B1(OCC(CO1)(C)C)C#C |
| InChIKey | TZCPJWQIOUGTBN-UHFFFAOYSA-N |
Product Overview
2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane (CAS 174584-72-6), with molecular formula C7H11BO2 and molecular weight 138.09 g/mol. IUPAC: 2-ethynyl-5,5-dimethyl-1,3,2-dioxaborinane.
Chemical Property Profile of 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane
Property Insights of 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane
The XLogP value of 0.72 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane has 0 hydrogen bond donor(s) and 2 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 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane?
The CAS number of 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane is 174584-72-6.
What is the molecular formula of 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane?
The molecular formula of 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane is C7H11BO2.
What is the molecular weight of 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane?
The molecular weight of 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane is 138.09 g/mol.
Where can I buy 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane?
You can request a quote for 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethynyl-5,5-dimethyl-1,3,2-dioxaborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.