3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
TL;DR: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS 269409-70-3) is a chemical compound with molecular formula C12H17BO3 and molecular weight 220.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Also Known As: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 3-Hydroxyphenylboronic acid pinacol ester, 3-hydroxyphenylboronic acid, pinacol ester, 3-hydroxybenzeneboronic acid, pinacol ester, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
| Molecular Formula | C12H17BO3 |
|---|---|
| Molecular Weight | 220.13 g/mol |
| LogP | 1.6914 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.12708 |
| Heavy Atoms | 16 |
| Complexity | 385.00528 |
Chemical Identifiers
| CAS Number | 269409-70-3 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)O |
Product Overview
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol (CAS 269409-70-3), with molecular formula C12H17BO3 and molecular weight 220.13 g/mol. IUPAC: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.
Chemical Property Profile of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Property Insights of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
The XLogP value of 1.6914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol. With a topological polar surface area (TPSA) of 38.69 Ų, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol 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 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The CAS number of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is 269409-70-3.
What is the molecular formula of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The molecular formula of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is C12H17BO3.
What is the molecular weight of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
The molecular weight of 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol is 220.13 g/mol.
Where can I buy 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
You can request a quote for 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.