4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester
TL;DR: 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester (CAS 832114-06-4) is a chemical compound with molecular formula C18H27BN2O3 and molecular weight 330.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Also Known As: (4-Methylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone, AMTB026, 4-(4-methylpiperazine-1-carbonyl)phenylboronic acid, pinacol ester, (4-methyl-piperazine-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl]-methanone, 4-(4-methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester
| Molecular Formula | C18H27BN2O3 |
|---|---|
| Molecular Weight | 330.21 g/mol |
| LogP | 1.3734 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.2115 |
| Heavy Atoms | 24 |
| Complexity | 591.1948 |
Chemical Identifiers
| CAS Number | 832114-06-4 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C |
Product Overview
4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester (CAS 832114-06-4), with molecular formula C18H27BN2O3 and molecular weight 330.21 g/mol. IUPAC: (4-methylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone.
Chemical Property Profile of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester
Property Insights of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester
The XLogP value of 1.3734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester. With a topological polar surface area (TPSA) of 42.01 Ų, 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester 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-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester?
The CAS number of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester is 832114-06-4.
What is the molecular formula of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester?
The molecular formula of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester is C18H27BN2O3.
What is the molecular weight of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester?
The molecular weight of 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester is 330.21 g/mol.
Where can I buy 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester?
You can request a quote for 4-(4-Methylpiperazine-1-carbonyl)phenylboronic 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-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylpiperazine-1-carbonyl)phenylboronic acid pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.