3-Chloro-4-pyridineboronic acid
TL;DR: 3-Chloro-4-pyridineboronic acid (CAS 458532-98-4) is a chemical compound with molecular formula C5H5BClNO2 and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-pyridinyl)boronic acid
Also Known As: 3-Chloro-4-pyridineboronic acid, (3-chloropyridin-4-yl)boronic Acid, 3-Chloropyridine-4-boronic acid, Abarelix, (3-chloro-4-pyridyl)boronic acid
| Molecular Formula | C5H5BClNO2 |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | -0.5852 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.0102 |
| Heavy Atoms | 10 |
| Complexity | 230.64287 |
Chemical Identifiers
| CAS Number | 458532-98-4 |
|---|---|
| SMILES | B(C1=C(C=NC=C1)Cl)(O)O |
Product Overview
3-Chloro-4-pyridineboronic acid (CAS 458532-98-4), with molecular formula C5H5BClNO2 and molecular weight 157.01 g/mol. IUPAC: (3-chloro-4-pyridinyl)boronic acid.
Chemical Property Profile of 3-Chloro-4-pyridineboronic acid
Property Insights of 3-Chloro-4-pyridineboronic acid
The XLogP value of -0.5852 indicates that 3-Chloro-4-pyridineboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.35 Ų, 3-Chloro-4-pyridineboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-pyridineboronic 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-Chloro-4-pyridineboronic acid?
The CAS number of 3-Chloro-4-pyridineboronic acid is 458532-98-4.
What is the molecular formula of 3-Chloro-4-pyridineboronic acid?
The molecular formula of 3-Chloro-4-pyridineboronic acid is C5H5BClNO2.
What is the molecular weight of 3-Chloro-4-pyridineboronic acid?
The molecular weight of 3-Chloro-4-pyridineboronic acid is 157.01 g/mol.
Where can I buy 3-Chloro-4-pyridineboronic acid?
You can request a quote for 3-Chloro-4-pyridineboronic 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-pyridineboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-pyridineboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.