4-Methylstyrylboronic acid
TL;DR: 4-Methylstyrylboronic acid (CAS 29385-43-1) is a chemical compound with molecular formula C9H11BO2 and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-(4-methylphenyl)ethenyl]boronic acid
Also Known As: (4-Methylstyryl)boronic acid, Tolyltriazole, trans-2-(4-Methylphenyl)vinylboronic acid, (E)-(4-Methylstyryl)boronic acid, 4-methylstyrylboronic acid
| Molecular Formula | C9H11BO2 |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | 1.02022 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.0852 |
| Heavy Atoms | 12 |
| Complexity | 264.36197 |
Chemical Identifiers
| CAS Number | 29385-43-1 |
|---|---|
| SMILES | B(/C=C/C1=CC=C(C=C1)C)(O)O |
Product Overview
4-Methylstyrylboronic acid (CAS 29385-43-1), with molecular formula C9H11BO2 and molecular weight 162.09 g/mol. IUPAC: [(E)-2-(4-methylphenyl)ethenyl]boronic acid.
Chemical Property Profile of 4-Methylstyrylboronic acid
Property Insights of 4-Methylstyrylboronic acid
The XLogP value of 1.02022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylstyrylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 4-Methylstyrylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylstyrylboronic 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 4-Methylstyrylboronic acid?
The CAS number of 4-Methylstyrylboronic acid is 29385-43-1.
What is the molecular formula of 4-Methylstyrylboronic acid?
The molecular formula of 4-Methylstyrylboronic acid is C9H11BO2.
What is the molecular weight of 4-Methylstyrylboronic acid?
The molecular weight of 4-Methylstyrylboronic acid is 162.09 g/mol.
Where can I buy 4-Methylstyrylboronic acid?
You can request a quote for 4-Methylstyrylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylstyrylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylstyrylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.