trans-1-Octenylboronic acid pinacol ester
TL;DR: trans-1-Octenylboronic acid pinacol ester (CAS 83947-55-1) is a chemical compound with molecular formula C14H27BO2 and molecular weight 238.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,5,5-tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane
Also Known As: trans-1-Octenylboronic acid pinacol ester, trans-4,4,5,5-Tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(oct-1-en-1-yl)-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-[(1E)-oct-1-en-1-yl]-1,3,2-dioxaborolane
| Molecular Formula | C14H27BO2 |
|---|---|
| Molecular Weight | 238.21 g/mol |
| LogP | 4.1444 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 238.2104 |
| Heavy Atoms | 17 |
| Complexity | 242.94783 |
Chemical Identifiers
| CAS Number | 83947-55-1 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C=CCCCCCC |
Product Overview
trans-1-Octenylboronic acid pinacol ester (CAS 83947-55-1), with molecular formula C14H27BO2 and molecular weight 238.21 g/mol. IUPAC: 4,4,5,5-tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane.
Chemical Property Profile of trans-1-Octenylboronic acid pinacol ester
Property Insights of trans-1-Octenylboronic acid pinacol ester
The XLogP value of 4.1444 indicates that trans-1-Octenylboronic acid pinacol ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, trans-1-Octenylboronic acid pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1-Octenylboronic acid pinacol ester has 0 hydrogen bond donor(s) and 2 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 trans-1-Octenylboronic acid pinacol ester?
The CAS number of trans-1-Octenylboronic acid pinacol ester is 83947-55-1.
What is the molecular formula of trans-1-Octenylboronic acid pinacol ester?
The molecular formula of trans-1-Octenylboronic acid pinacol ester is C14H27BO2.
What is the molecular weight of trans-1-Octenylboronic acid pinacol ester?
The molecular weight of trans-1-Octenylboronic acid pinacol ester is 238.21 g/mol.
Where can I buy trans-1-Octenylboronic acid pinacol ester?
You can request a quote for trans-1-Octenylboronic 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 trans-1-Octenylboronic acid pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for trans-1-Octenylboronic acid pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.