![[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate structure](/static/products/5620/562098-08-2.webp)
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate
TL;DR: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate (CAS 562098-08-2) is a chemical compound with molecular formula C15H21BO4 and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate
Also Known As: 4-(Acetoxymethyl)benzene boronic acid pinacol ester, [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate, 4-(ACETOXYMETHYL)BENZENEBORONIC ACID PINACOL ESTER, 5661AE, (4-ACETOXYMETHYLPHENYL)BORONICACIDPINACOLESTER
| Molecular Formula | C15H21BO4 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 2.0489 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.1533 |
| Heavy Atoms | 20 |
| Complexity | 477.0999 |
Chemical Identifiers
| CAS Number | 562098-08-2 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)COC(=O)C |
Product Overview
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate (CAS 562098-08-2), with molecular formula C15H21BO4 and molecular weight 276.15 g/mol. IUPAC: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate.
Chemical Property Profile of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate
Property Insights of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate
The XLogP value of 2.0489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate. With a topological polar surface area (TPSA) of 44.76 Ų, [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate has 0 hydrogen bond donor(s) and 4 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-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate?
The CAS number of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate is 562098-08-2.
What is the molecular formula of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate?
The molecular formula of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate is C15H21BO4.
What is the molecular weight of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate?
The molecular weight of [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate is 276.15 g/mol.
Where can I buy [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate?
You can request a quote for [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.