2-Chloro-5-cyanophenylboronic acid
TL;DR: 2-Chloro-5-cyanophenylboronic acid (CAS 936249-33-1) is a chemical compound with molecular formula C7H5BClNO2 and molecular weight 181.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-5-cyanophenyl)boronic acid
Also Known As: 2-Chloro-5-cyanophenylboronic acid, (2-chloro-5-cyanophenyl)boronic acid, 3-Borono-4-chlorobenzonitrile, (2-chloro-5-cyano-phenyl)boronic Acid, 2-chloro-5-cyanobenzeneboronic acid
| Molecular Formula | C7H5BClNO2 |
|---|---|
| Molecular Weight | 181.01 g/mol |
| LogP | -0.10852 |
| Topological Polar Surface Area | 64.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.0102 |
| Heavy Atoms | 12 |
| Complexity | 334.66852 |
Chemical Identifiers
| CAS Number | 936249-33-1 |
|---|---|
| SMILES | B(C1=C(C=CC(=C1)C#N)Cl)(O)O |
Product Overview
2-Chloro-5-cyanophenylboronic acid (CAS 936249-33-1), with molecular formula C7H5BClNO2 and molecular weight 181.01 g/mol. IUPAC: (2-chloro-5-cyanophenyl)boronic acid.
Chemical Property Profile of 2-Chloro-5-cyanophenylboronic acid
Property Insights of 2-Chloro-5-cyanophenylboronic acid
The XLogP value of -0.10852 indicates that 2-Chloro-5-cyanophenylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-cyanophenylboronic acid. Following Lipinski's Rule of Five, 2-Chloro-5-cyanophenylboronic 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 2-Chloro-5-cyanophenylboronic acid?
The CAS number of 2-Chloro-5-cyanophenylboronic acid is 936249-33-1.
What is the molecular formula of 2-Chloro-5-cyanophenylboronic acid?
The molecular formula of 2-Chloro-5-cyanophenylboronic acid is C7H5BClNO2.
What is the molecular weight of 2-Chloro-5-cyanophenylboronic acid?
The molecular weight of 2-Chloro-5-cyanophenylboronic acid is 181.01 g/mol.
Where can I buy 2-Chloro-5-cyanophenylboronic acid?
You can request a quote for 2-Chloro-5-cyanophenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-cyanophenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-cyanophenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.