2-tert-Butyl-E-vinylboronic acid
TL;DR: 2-tert-Butyl-E-vinylboronic acid (CAS 214907-15-0) is a chemical compound with molecular formula C6H13BO2 and molecular weight 128.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3,3-dimethylbut-1-enyl]boronic acid
Also Known As: 3,3-Dimethyl-1-butenylboronic acid, (E)-(3,3-Dimethylbut-1-en-1-yl)boronic acid, 2-t-Butyl-E-vinylboronic acid, 2-tert-Butyl-E-vinylboronic acid, [(E)-3,3-dimethylbut-1-enyl]boronic acid
| Molecular Formula | C6H13BO2 |
|---|---|
| Molecular Weight | 128.10 g/mol |
| LogP | 0.6007 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.10086 |
| Heavy Atoms | 9 |
| Complexity | 102.115715 |
Chemical Identifiers
| CAS Number | 214907-15-0 |
|---|---|
| SMILES | B(/C=C/C(C)(C)C)(O)O |
Product Overview
2-tert-Butyl-E-vinylboronic acid (CAS 214907-15-0), with molecular formula C6H13BO2 and molecular weight 128.10 g/mol. IUPAC: [(E)-3,3-dimethylbut-1-enyl]boronic acid.
Chemical Property Profile of 2-tert-Butyl-E-vinylboronic acid
Property Insights of 2-tert-Butyl-E-vinylboronic acid
The XLogP value of 0.6007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-Butyl-E-vinylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 2-tert-Butyl-E-vinylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-E-vinylboronic acid has 2 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 2-tert-Butyl-E-vinylboronic acid?
The CAS number of 2-tert-Butyl-E-vinylboronic acid is 214907-15-0.
What is the molecular formula of 2-tert-Butyl-E-vinylboronic acid?
The molecular formula of 2-tert-Butyl-E-vinylboronic acid is C6H13BO2.
What is the molecular weight of 2-tert-Butyl-E-vinylboronic acid?
The molecular weight of 2-tert-Butyl-E-vinylboronic acid is 128.10 g/mol.
Where can I buy 2-tert-Butyl-E-vinylboronic acid?
You can request a quote for 2-tert-Butyl-E-vinylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-E-vinylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-E-vinylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.