4-Aminomethylphenylboronic acid pinacol ester
TL;DR: 4-Aminomethylphenylboronic acid pinacol ester (CAS 138500-88-6) is a chemical compound with molecular formula C13H20BNO2 and molecular weight 233.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
Also Known As: (4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine, 4-Aminomethylphenylboronic acid, pinacol ester, AMTB408, [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine, 4-(Aminomethyl)phenylboronic Acid Pinacol Ester
Technical Specifications
| Molecular Formula | C13H20BNO2 |
| Molecular Weight | 233.1587 g/mol |
| XLogP | 1.4445 |
| Topological Polar Surface Area (TPSA) | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.1587 Da |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN |
| InChIKey | FPUVAGQUKWMDKN-UHFFFAOYSA-N |
Chemical Property Profile of 4-Aminomethylphenylboronic acid pinacol ester
Property Insights of 4-Aminomethylphenylboronic acid pinacol ester
The XLogP value of 1.4445 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Aminomethylphenylboronic acid pinacol ester. With a topological polar surface area (TPSA) of 44.5 Ų, 4-Aminomethylphenylboronic acid pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Aminomethylphenylboronic acid pinacol ester 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
What is the CAS number of 4-Aminomethylphenylboronic acid pinacol ester?
The CAS number of 4-Aminomethylphenylboronic acid pinacol ester is 138500-88-6.
What is the molecular formula of 4-Aminomethylphenylboronic acid pinacol ester?
The molecular formula of 4-Aminomethylphenylboronic acid pinacol ester is C13H20BNO2.
What is the molecular weight of 4-Aminomethylphenylboronic acid pinacol ester?
The molecular weight of 4-Aminomethylphenylboronic acid pinacol ester is 233.1587 g/mol.
Where can I buy 4-Aminomethylphenylboronic acid pinacol ester?
You can request a quote for 4-Aminomethylphenylboronic acid pinacol ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Aminomethylphenylboronic acid pinacol ester?
Yes, CoreyChem provides custom synthesis services for 4-Aminomethylphenylboronic acid pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.