4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL
TL;DR: 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL (CAS 78-60-4) is a chemical compound with molecular formula C6H13BO3 and molecular weight 144.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-4,4,6-trimethyl-1,3,2-dioxaborinane
Also Known As: 4,4,6-TRIMETHYL-1,3,2-DIOXABORINAN-2-OL, 2-hydroxy-4,4,6-trimethyl-1,3,2-dioxaborinane, 2, 2-methyl-, cyclic borate, 2,4-Pentanediol, 2-methyl-, cyclic borate, 4,4,6-trimethyl-2-hydroxy-1,3,2-dioxaborinane
| Molecular Formula | C6H13BO3 |
|---|---|
| Molecular Weight | 144.10 g/mol |
| LogP | 0.5676 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.09578 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 78-60-4 |
|---|---|
| SMILES | B1(OC(CC(O1)(C)C)C)O |
| InChIKey | HWWZTLCUFSAFED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL (CAS 78-60-4), with molecular formula C6H13BO3 and molecular weight 144.10 g/mol. IUPAC: 2-hydroxy-4,4,6-trimethyl-1,3,2-dioxaborinane.
Chemical Property Profile of 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL
Property Insights of 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL
The XLogP value of 0.5676 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL. With a topological polar surface area (TPSA) of 38.7 Ų, 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL 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 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL?
The CAS number of 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL is 78-60-4.
What is the molecular formula of 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL?
The molecular formula of 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL is C6H13BO3.
What is the molecular weight of 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL?
The molecular weight of 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL is 144.10 g/mol.
Where can I buy 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL?
You can request a quote for 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL?
Yes, KEHONG BIO provides custom synthesis services for 4,4,6-Trimethyl-1,3,2-dioxaborinan-2-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.