3,4,5-Trimethoxybenzeneboronic acid
TL;DR: 3,4,5-Trimethoxybenzeneboronic acid (CAS 182163-96-8) is a chemical compound with molecular formula C9H13BO5 and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-trimethoxyphenyl)boronic acid
Also Known As: 3,4,5-Trimethoxyphenylboronic acid, (3,4,5-trimethoxyphenyl)boronic Acid, 3,4,5-trimethoxybenzeneboronic acid, (3,4,5-trimethoxyphenyl)boranediol, Boronic acid, B-(3,4,5-trimethoxyphenyl)-
| Molecular Formula | C9H13BO5 |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | -0.6078 |
| Topological Polar Surface Area | 68.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.0856 |
| Heavy Atoms | 15 |
| Complexity | 314.26974 |
Chemical Identifiers
| CAS Number | 182163-96-8 |
|---|---|
| SMILES | B(C1=CC(=C(C(=C1)OC)OC)OC)(O)O |
Product Overview
3,4,5-Trimethoxybenzeneboronic acid (CAS 182163-96-8), with molecular formula C9H13BO5 and molecular weight 212.09 g/mol. IUPAC: (3,4,5-trimethoxyphenyl)boronic acid.
Chemical Property Profile of 3,4,5-Trimethoxybenzeneboronic acid
Property Insights of 3,4,5-Trimethoxybenzeneboronic acid
The XLogP value of -0.6078 indicates that 3,4,5-Trimethoxybenzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-Trimethoxybenzeneboronic acid. Following Lipinski's Rule of Five, 3,4,5-Trimethoxybenzeneboronic acid has 2 hydrogen bond donor(s) and 5 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 3,4,5-Trimethoxybenzeneboronic acid?
The CAS number of 3,4,5-Trimethoxybenzeneboronic acid is 182163-96-8.
What is the molecular formula of 3,4,5-Trimethoxybenzeneboronic acid?
The molecular formula of 3,4,5-Trimethoxybenzeneboronic acid is C9H13BO5.
What is the molecular weight of 3,4,5-Trimethoxybenzeneboronic acid?
The molecular weight of 3,4,5-Trimethoxybenzeneboronic acid is 212.09 g/mol.
Where can I buy 3,4,5-Trimethoxybenzeneboronic acid?
You can request a quote for 3,4,5-Trimethoxybenzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-Trimethoxybenzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethoxybenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.