Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
TL;DR: Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS 269409-99-6) 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.
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Also Known As: Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, 2-Ethoxycarbonylphenylboronic acid pinacol ester, 2- ETHOXYCRBNL BNZENEBORNIC 1G., 2- ETHOXYCRBNL BNZENEBORNIC 5G., 1,1-(chloromethylene)bis[4-chlorobenzene]
| Molecular Formula | C15H21BO4 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 2.1625 |
| 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 | 494.3499 |
Chemical Identifiers
| CAS Number | 269409-99-6 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OCC |
Product Overview
Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS 269409-99-6), with molecular formula C15H21BO4 and molecular weight 276.15 g/mol. IUPAC: ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.
Chemical Property Profile of Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Property Insights of Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
The XLogP value of 2.1625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate. With a topological polar surface area (TPSA) of 44.76 Ų, Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 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 Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
The CAS number of Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is 269409-99-6.
What is the molecular formula of Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
The molecular formula of Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is C15H21BO4.
What is the molecular weight of Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
The molecular weight of Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is 276.15 g/mol.
Where can I buy Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
You can request a quote for Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.