Diethyl ethylboronate
TL;DR: Diethyl ethylboronate (CAS 53907-92-9) is a chemical compound with molecular formula C6H15BO2 and molecular weight 130.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy(ethyl)borane
Also Known As: Ethyldiethoxyboron, Diethyl ethylboronate, diethoxy(ethyl)borane, Diethyl ethylboronate #, Boronic acid, ethyl-, diethyl ester
| Molecular Formula | C6H15BO2 |
|---|---|
| Molecular Weight | 130.12 g/mol |
| LogP | 1.5675 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.11652 |
| Heavy Atoms | 9 |
| Complexity | 53.0 |
Chemical Identifiers
| CAS Number | 53907-92-9 |
|---|---|
| SMILES | B(CC)(OCC)OCC |
| InChIKey | RDEUWASIVCLDKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl ethylboronate (CAS 53907-92-9), with molecular formula C6H15BO2 and molecular weight 130.12 g/mol. IUPAC: diethoxy(ethyl)borane.
Chemical Property Profile of Diethyl ethylboronate
Property Insights of Diethyl ethylboronate
The XLogP value of 1.5675 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethylboronate. With a topological polar surface area (TPSA) of 18.5 Ų, Diethyl ethylboronate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethylboronate 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 Diethyl ethylboronate?
The CAS number of Diethyl ethylboronate is 53907-92-9.
What is the molecular formula of Diethyl ethylboronate?
The molecular formula of Diethyl ethylboronate is C6H15BO2.
What is the molecular weight of Diethyl ethylboronate?
The molecular weight of Diethyl ethylboronate is 130.12 g/mol.
Where can I buy Diethyl ethylboronate?
You can request a quote for Diethyl ethylboronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethylboronate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethylboronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.