2,2-Dimethylethenylboronic acid
TL;DR: 2,2-Dimethylethenylboronic acid (CAS 14559-88-7) is a chemical compound with molecular formula C4H9BO2 and molecular weight 100.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-1-enylboronic acid
Also Known As: 2,2-Dimethylethenylboronic acid, 2-methylprop-1-enylboronic Acid, (2-METHYLPROP-1-EN-1-YL)BORONIC ACID, (2,2-Dimethylethenyl)boronic acid, 2-methyl-1-propenylboronic acid
| Molecular Formula | C4H9BO2 |
|---|---|
| Molecular Weight | 100.07 g/mol |
| LogP | -0.0354 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.06956 |
| Heavy Atoms | 7 |
| Complexity | 73.75898 |
Chemical Identifiers
| CAS Number | 14559-88-7 |
|---|---|
| SMILES | B(C=C(C)C)(O)O |
Product Overview
2,2-Dimethylethenylboronic acid (CAS 14559-88-7), with molecular formula C4H9BO2 and molecular weight 100.07 g/mol. IUPAC: 2-methylprop-1-enylboronic acid.
Chemical Property Profile of 2,2-Dimethylethenylboronic acid
Property Insights of 2,2-Dimethylethenylboronic acid
The XLogP value of -0.0354 indicates that 2,2-Dimethylethenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.46 Ų, 2,2-Dimethylethenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylethenylboronic 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 2,2-Dimethylethenylboronic acid?
The CAS number of 2,2-Dimethylethenylboronic acid is 14559-88-7.
What is the molecular formula of 2,2-Dimethylethenylboronic acid?
The molecular formula of 2,2-Dimethylethenylboronic acid is C4H9BO2.
What is the molecular weight of 2,2-Dimethylethenylboronic acid?
The molecular weight of 2,2-Dimethylethenylboronic acid is 100.07 g/mol.
Where can I buy 2,2-Dimethylethenylboronic acid?
You can request a quote for 2,2-Dimethylethenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylethenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylethenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.