4-Formylphenylboronic acid pinacol ester
TL;DR: 4-Formylphenylboronic acid pinacol ester (CAS 128376-64-7) is a chemical compound with molecular formula C13H17BO3 and molecular weight 232.13 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)benzaldehyde
Also Known As: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde, 4-Formylphenylboronic acid pinacol ester, 4-Formylphenylboronic acid, pinacol ester, 4-formylphenylboronic acid pinacol cyclic ester, 4-formylphenylboronic acid pinacolate
| Molecular Formula | C13H17BO3 |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.7983 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.12708 |
| Heavy Atoms | 17 |
| Complexity | 406.79565 |
Chemical Identifiers
| CAS Number | 128376-64-7 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C=O |
Product Overview
4-Formylphenylboronic acid pinacol ester (CAS 128376-64-7), with molecular formula C13H17BO3 and molecular weight 232.13 g/mol. IUPAC: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde.
Chemical Property Profile of 4-Formylphenylboronic acid pinacol ester
Property Insights of 4-Formylphenylboronic acid pinacol ester
The XLogP value of 1.7983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Formylphenylboronic acid pinacol ester. With a topological polar surface area (TPSA) of 35.53 Ų, 4-Formylphenylboronic acid pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Formylphenylboronic acid pinacol ester has 0 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-Formylphenylboronic acid pinacol ester?
The CAS number of 4-Formylphenylboronic acid pinacol ester is 128376-64-7.
What is the molecular formula of 4-Formylphenylboronic acid pinacol ester?
The molecular formula of 4-Formylphenylboronic acid pinacol ester is C13H17BO3.
What is the molecular weight of 4-Formylphenylboronic acid pinacol ester?
The molecular weight of 4-Formylphenylboronic acid pinacol ester is 232.13 g/mol.
Where can I buy 4-Formylphenylboronic acid pinacol ester?
You can request a quote for 4-Formylphenylboronic acid pinacol ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Formylphenylboronic acid pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Formylphenylboronic acid pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.