Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
TL;DR: Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS 17136-80-0) is a chemical compound with molecular formula C14H19BO4 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Also Known As: Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, 4-Methoxycarbonylphenylboronic acid pinacol ester, 4-Methoxycarbonylphenylboronic acid, pinacol ester, 4-(methoxycarbonyl)phenylboronic acid pinacol ester, 4-Carbomethoxyphenylboronic acid pinacol ester
| Molecular Formula | C14H19BO4 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 1.7724 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.13763 |
| Heavy Atoms | 19 |
| Complexity | 462.72427 |
Chemical Identifiers
| CAS Number | 17136-80-0 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (CAS 17136-80-0), with molecular formula C14H19BO4 and molecular weight 262.14 g/mol. IUPAC: methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.
Chemical Property Profile of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Property Insights of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
The XLogP value of 1.7724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate. With a topological polar surface area (TPSA) of 44.76 Ų, Methyl 4-(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, Methyl 4-(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 Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
The CAS number of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is 17136-80-0.
What is the molecular formula of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
The molecular formula of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is C14H19BO4.
What is the molecular weight of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
The molecular weight of Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate is 262.14 g/mol.
Where can I buy Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
You can request a quote for Methyl 4-(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 Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(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.