1,3,2-Dioxaborolan-4-one, 2-ethyl-
TL;DR: 1,3,2-Dioxaborolan-4-one, 2-ethyl- (CAS 74646-12-1) is a chemical compound with molecular formula C4H7BO3 and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1,3,2-dioxaborolan-4-one
Also Known As: 2-Ethyl-1,3,2-dioxaborolan-4-one, 1,3,2-Dioxaborolan-4-one, 2-ethyl-, 2-Ethyl-1,3,2-dioxaborolan-4-on, 2-Ethyl-1,3,2-dioxaborolan-4-one #
| Molecular Formula | C4H7BO3 |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | 0.0679 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.04882 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 74646-12-1 |
|---|---|
| SMILES | B1(OCC(=O)O1)CC |
| InChIKey | ZVNUPLJBZCSYQJ-UHFFFAOYSA-N |
Product Overview
1,3,2-Dioxaborolan-4-one, 2-ethyl- (CAS 74646-12-1), with molecular formula C4H7BO3 and molecular weight 114.05 g/mol. IUPAC: 2-ethyl-1,3,2-dioxaborolan-4-one.
Chemical Property Profile of 1,3,2-Dioxaborolan-4-one, 2-ethyl-
Property Insights of 1,3,2-Dioxaborolan-4-one, 2-ethyl-
The XLogP value of 0.0679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Dioxaborolan-4-one, 2-ethyl-. With a topological polar surface area (TPSA) of 35.5 Ų, 1,3,2-Dioxaborolan-4-one, 2-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Dioxaborolan-4-one, 2-ethyl- 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 1,3,2-Dioxaborolan-4-one, 2-ethyl-?
The CAS number of 1,3,2-Dioxaborolan-4-one, 2-ethyl- is 74646-12-1.
What is the molecular formula of 1,3,2-Dioxaborolan-4-one, 2-ethyl-?
The molecular formula of 1,3,2-Dioxaborolan-4-one, 2-ethyl- is C4H7BO3.
What is the molecular weight of 1,3,2-Dioxaborolan-4-one, 2-ethyl-?
The molecular weight of 1,3,2-Dioxaborolan-4-one, 2-ethyl- is 114.05 g/mol.
Where can I buy 1,3,2-Dioxaborolan-4-one, 2-ethyl-?
You can request a quote for 1,3,2-Dioxaborolan-4-one, 2-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,2-Dioxaborolan-4-one, 2-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,2-Dioxaborolan-4-one, 2-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.