3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester
TL;DR: 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester (CAS 480438-74-2) is a chemical compound with molecular formula C17H25BO5 and molecular weight 320.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate
Also Known As: 2-Bromohexadecanoic acid, 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester, Tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] Carbonate, (5-Fluoro-2-propoxyphenyl)boronic acid, tert-Butyl (3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl) carbonate
| Molecular Formula | C17H25BO5 |
|---|---|
| Molecular Weight | 320.18 g/mol |
| LogP | 3.2997 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.1795 |
| Heavy Atoms | 23 |
| Complexity | 572.89166 |
Chemical Identifiers
| CAS Number | 480438-74-2 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)OC(=O)OC(C)(C)C |
Product Overview
3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester (CAS 480438-74-2), with molecular formula C17H25BO5 and molecular weight 320.18 g/mol. IUPAC: tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate.
Chemical Property Profile of 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester
Property Insights of 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester
The XLogP value of 3.2997 indicates that 3-(tert-Butoxycarbonyloxy)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 53.99 Ų, 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(tert-Butoxycarbonyloxy)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 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester?
The CAS number of 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester is 480438-74-2.
What is the molecular formula of 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester?
The molecular formula of 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester is C17H25BO5.
What is the molecular weight of 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester?
The molecular weight of 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester is 320.18 g/mol.
Where can I buy 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester?
You can request a quote for 3-(tert-Butoxycarbonyloxy)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 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-Butoxycarbonyloxy)phenylboronic acid pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.