2,4,4-Trimethylpentylboronic acid
TL;DR: 2,4,4-Trimethylpentylboronic acid (CAS 140614-18-2) is a chemical compound with molecular formula C8H19BO2 and molecular weight 158.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylpentylboronic acid
Also Known As: 2,4,4-trimethylpentylboronic Acid, (2,4,4-trimethylpentyl)boronic acid
| Molecular Formula | C8H19BO2 |
|---|---|
| Molecular Weight | 158.15 g/mol |
| LogP | 1.5315 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.14781 |
| Heavy Atoms | 11 |
| Complexity | 107.14991 |
Chemical Identifiers
| CAS Number | 140614-18-2 |
|---|---|
| SMILES | B(CC(C)CC(C)(C)C)(O)O |
Product Overview
2,4,4-Trimethylpentylboronic acid (CAS 140614-18-2), with molecular formula C8H19BO2 and molecular weight 158.15 g/mol. IUPAC: 2,4,4-trimethylpentylboronic acid.
Chemical Property Profile of 2,4,4-Trimethylpentylboronic acid
Property Insights of 2,4,4-Trimethylpentylboronic acid
The XLogP value of 1.5315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,4-Trimethylpentylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 2,4,4-Trimethylpentylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethylpentylboronic 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 2,4,4-Trimethylpentylboronic acid?
The CAS number of 2,4,4-Trimethylpentylboronic acid is 140614-18-2.
What is the molecular formula of 2,4,4-Trimethylpentylboronic acid?
The molecular formula of 2,4,4-Trimethylpentylboronic acid is C8H19BO2.
What is the molecular weight of 2,4,4-Trimethylpentylboronic acid?
The molecular weight of 2,4,4-Trimethylpentylboronic acid is 158.15 g/mol.
Where can I buy 2,4,4-Trimethylpentylboronic acid?
You can request a quote for 2,4,4-Trimethylpentylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethylpentylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethylpentylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.