3-Chloro-4-methylphenylboronic acid
TL;DR: 3-Chloro-4-methylphenylboronic acid (CAS 763905-45-9) is a chemical compound with molecular formula C7H8BClO2 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methylphenyl)boronic acid
Also Known As: 3-Chloro-4-methylphenylboronic acid, (3-chloro-4-methylphenyl)boronic acid, 3-Chloro-4-methylbenzeneboronic Acid, 3-Chloro-4-methylphenylboronicacid, 3-Chloro-p-tolylboronic Acid
| Molecular Formula | C7H8BClO2 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 0.32822 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.0306 |
| Heavy Atoms | 11 |
| Complexity | 262.61752 |
Chemical Identifiers
| CAS Number | 763905-45-9 |
|---|---|
| SMILES | B(C1=CC(=C(C=C1)C)Cl)(O)O |
Product Overview
3-Chloro-4-methylphenylboronic acid (CAS 763905-45-9), with molecular formula C7H8BClO2 and molecular weight 170.03 g/mol. IUPAC: (3-chloro-4-methylphenyl)boronic acid.
Chemical Property Profile of 3-Chloro-4-methylphenylboronic acid
Property Insights of 3-Chloro-4-methylphenylboronic acid
The XLogP value of 0.32822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-methylphenylboronic acid. With a topological polar surface area (TPSA) of 40.46 Ų, 3-Chloro-4-methylphenylboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-methylphenylboronic 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 3-Chloro-4-methylphenylboronic acid?
The CAS number of 3-Chloro-4-methylphenylboronic acid is 763905-45-9.
What is the molecular formula of 3-Chloro-4-methylphenylboronic acid?
The molecular formula of 3-Chloro-4-methylphenylboronic acid is C7H8BClO2.
What is the molecular weight of 3-Chloro-4-methylphenylboronic acid?
The molecular weight of 3-Chloro-4-methylphenylboronic acid is 170.03 g/mol.
Where can I buy 3-Chloro-4-methylphenylboronic acid?
You can request a quote for 3-Chloro-4-methylphenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-methylphenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methylphenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.