4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester
TL;DR: 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester (CAS 468718-55-0) is a chemical compound with molecular formula C21H33BN2O4 and molecular weight 388.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
Also Known As: tert-butyl 4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carboxylate, 4-(4-TERT-BUTOXYCARBONYLPIPERAZINYL)PHENYLBORONIC ACID, PINACOL ESTER, 4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester, 4-[4-(N-Boc)piperazin-1-yl]phenylboronic acid pinacol ester, Tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate
| Molecular Formula | C21H33BN2O4 |
|---|---|
| Molecular Weight | 388.25 g/mol |
| LogP | 3.0429 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.25333 |
| Heavy Atoms | 28 |
| Complexity | 688.1109 |
Chemical Identifiers
| CAS Number | 468718-55-0 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C |
Product Overview
4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester (CAS 468718-55-0), with molecular formula C21H33BN2O4 and molecular weight 388.25 g/mol. IUPAC: tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine-1-carboxylate.
Chemical Property Profile of 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester
Property Insights of 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester
The XLogP value of 3.0429 indicates that 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester has 0 hydrogen bond donor(s) and 5 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-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester?
The CAS number of 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester is 468718-55-0.
What is the molecular formula of 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester?
The molecular formula of 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester is C21H33BN2O4.
What is the molecular weight of 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester?
The molecular weight of 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester is 388.25 g/mol.
Where can I buy 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester?
You can request a quote for 4-(4-tert-Butoxycarbonylpiperazinyl)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-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-tert-Butoxycarbonylpiperazinyl)phenylboronic acid, pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.