3,5-Dimethyl-4-methoxybenzeneboronic acid
TL;DR: 3,5-Dimethyl-4-methoxybenzeneboronic acid (CAS 946775-16-2) is a chemical compound with molecular formula C9H13BO3 and molecular weight 180.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxy-3,5-dimethylphenyl)boronic acid
Also Known As: 3,5-Dimethyl-4-methoxyphenylboronic acid, (4-methoxy-3,5-dimethylphenyl)boronic acid, 4-Methoxy-3,5-dimethylphenylboronic acid, 3,5-Dimethyl-4-methoxybenzeneboronic acid, (4-methoxy-3,5-dimethyl-phenyl)boronic Acid
| Molecular Formula | C9H13BO3 |
|---|---|
| Molecular Weight | 180.10 g/mol |
| LogP | -0.00816 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.09578 |
| Heavy Atoms | 13 |
| Complexity | 286.72327 |
Chemical Identifiers
| CAS Number | 946775-16-2 |
|---|---|
| SMILES | B(C1=CC(=C(C(=C1)C)OC)C)(O)O |
Product Overview
3,5-Dimethyl-4-methoxybenzeneboronic acid (CAS 946775-16-2), with molecular formula C9H13BO3 and molecular weight 180.10 g/mol. IUPAC: (4-methoxy-3,5-dimethylphenyl)boronic acid.
Chemical Property Profile of 3,5-Dimethyl-4-methoxybenzeneboronic acid
Property Insights of 3,5-Dimethyl-4-methoxybenzeneboronic acid
The XLogP value of -0.00816 indicates that 3,5-Dimethyl-4-methoxybenzeneboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.69 Ų, 3,5-Dimethyl-4-methoxybenzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4-methoxybenzeneboronic acid has 2 hydrogen bond donor(s) and 3 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 3,5-Dimethyl-4-methoxybenzeneboronic acid?
The CAS number of 3,5-Dimethyl-4-methoxybenzeneboronic acid is 946775-16-2.
What is the molecular formula of 3,5-Dimethyl-4-methoxybenzeneboronic acid?
The molecular formula of 3,5-Dimethyl-4-methoxybenzeneboronic acid is C9H13BO3.
What is the molecular weight of 3,5-Dimethyl-4-methoxybenzeneboronic acid?
The molecular weight of 3,5-Dimethyl-4-methoxybenzeneboronic acid is 180.10 g/mol.
Where can I buy 3,5-Dimethyl-4-methoxybenzeneboronic acid?
You can request a quote for 3,5-Dimethyl-4-methoxybenzeneboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-4-methoxybenzeneboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4-methoxybenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.