2-Ethyl-1,3,2-dioxaborinane
TL;DR: 2-Ethyl-1,3,2-dioxaborinane (CAS 56554-21-3) is a chemical compound with molecular formula C5H11BO2 and molecular weight 114.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,3,2-dioxaborinane
Also Known As: 2-ethyl-1,3,2-dioxaborinane, 1,3,2-dioxaborinane, 2-ethyl-, 2-ethyl-1,3,2-dioxaboracyclohexane, 2-Ethyl-5,6-dihydro-4H-1,3,2-dioxaborin, InChI=1/C5H11BO2/c1-2-6-7-4-3-5-8-6/h2-5H2,1H
| Molecular Formula | C5H11BO2 |
|---|---|
| Molecular Weight | 114.09 g/mol |
| LogP | 0.9314 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.08521 |
| Heavy Atoms | 8 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 56554-21-3 |
|---|---|
| SMILES | B1(OCCCO1)CC |
| InChIKey | VKYDVHZLOHHKNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1,3,2-dioxaborinane (CAS 56554-21-3), with molecular formula C5H11BO2 and molecular weight 114.09 g/mol. IUPAC: 2-ethyl-1,3,2-dioxaborinane.
Chemical Property Profile of 2-Ethyl-1,3,2-dioxaborinane
Property Insights of 2-Ethyl-1,3,2-dioxaborinane
The XLogP value of 0.9314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,3,2-dioxaborinane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Ethyl-1,3,2-dioxaborinane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-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-Ethyl-1,3,2-dioxaborinane?
The CAS number of 2-Ethyl-1,3,2-dioxaborinane is 56554-21-3.
What is the molecular formula of 2-Ethyl-1,3,2-dioxaborinane?
The molecular formula of 2-Ethyl-1,3,2-dioxaborinane is C5H11BO2.
What is the molecular weight of 2-Ethyl-1,3,2-dioxaborinane?
The molecular weight of 2-Ethyl-1,3,2-dioxaborinane is 114.09 g/mol.
Where can I buy 2-Ethyl-1,3,2-dioxaborinane?
You can request a quote for 2-Ethyl-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-Ethyl-1,3,2-dioxaborinane?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1,3,2-dioxaborinane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.