2-Ethyl-1,3,6,2-dioxazaborocane
TL;DR: 2-Ethyl-1,3,6,2-dioxazaborocane (CAS 4542-54-5) is a chemical compound with molecular formula C6H14BNO2 and molecular weight 143.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,3,6,2-dioxazaborocane
Also Known As: 2-Ethyl-1,3,6,2-dioxazaborocane, 2-Ethyl-1,3,6,2-dioxazaborocane #, 4H-1,3,6,2-Dioxazaborocine, 2-ethyltetrahydro-, Bicyclo[3.3.0]octane, 5-azonia-1-borata-2,8-dioxa-1-ethyl-
| Molecular Formula | C6H14BNO2 |
|---|---|
| Molecular Weight | 143.11 g/mol |
| LogP | 0.1309 |
| Topological Polar Surface Area | 30.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 143.11176 |
| Heavy Atoms | 10 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 4542-54-5 |
|---|---|
| SMILES | B1(OCCNCCO1)CC |
| InChIKey | OVNPNOZVNANQEY-UHFFFAOYSA-N |
Product Overview
2-Ethyl-1,3,6,2-dioxazaborocane (CAS 4542-54-5), with molecular formula C6H14BNO2 and molecular weight 143.11 g/mol. IUPAC: 2-ethyl-1,3,6,2-dioxazaborocane.
Chemical Property Profile of 2-Ethyl-1,3,6,2-dioxazaborocane
Property Insights of 2-Ethyl-1,3,6,2-dioxazaborocane
The XLogP value of 0.1309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,3,6,2-dioxazaborocane. With a topological polar surface area (TPSA) of 30.5 Ų, 2-Ethyl-1,3,6,2-dioxazaborocane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1,3,6,2-dioxazaborocane has 1 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 2-Ethyl-1,3,6,2-dioxazaborocane?
The CAS number of 2-Ethyl-1,3,6,2-dioxazaborocane is 4542-54-5.
What is the molecular formula of 2-Ethyl-1,3,6,2-dioxazaborocane?
The molecular formula of 2-Ethyl-1,3,6,2-dioxazaborocane is C6H14BNO2.
What is the molecular weight of 2-Ethyl-1,3,6,2-dioxazaborocane?
The molecular weight of 2-Ethyl-1,3,6,2-dioxazaborocane is 143.11 g/mol.
Where can I buy 2-Ethyl-1,3,6,2-dioxazaborocane?
You can request a quote for 2-Ethyl-1,3,6,2-dioxazaborocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1,3,6,2-dioxazaborocane?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1,3,6,2-dioxazaborocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.