(Pyrimidin-5-yl)boronic acid
TL;DR: (Pyrimidin-5-yl)boronic acid (CAS 696602-91-2) is a chemical compound with molecular formula C4H5BN2O2 and molecular weight 124.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrimidin-5-ylboronic acid
Also Known As: 5-Pyrimidinylboronic acid, Pyrimidine-5-boronic acid, pyrimidin-5-ylboronic acid, 5-pyrimidineboronic acid, 5-Pyrimidylboronic Acid
| Molecular Formula | C4H5BN2O2 |
|---|---|
| Molecular Weight | 124.04 g/mol |
| LogP | -1.8436 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.04441 |
| Heavy Atoms | 9 |
| Complexity | 179.18233 |
Chemical Identifiers
| CAS Number | 696602-91-2 |
|---|---|
| SMILES | B(C1=CN=CN=C1)(O)O |
Product Overview
(Pyrimidin-5-yl)boronic acid (CAS 696602-91-2), with molecular formula C4H5BN2O2 and molecular weight 124.04 g/mol. IUPAC: pyrimidin-5-ylboronic acid.
Chemical Property Profile of (Pyrimidin-5-yl)boronic acid
Property Insights of (Pyrimidin-5-yl)boronic acid
The XLogP value of -1.8436 indicates that (Pyrimidin-5-yl)boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (Pyrimidin-5-yl)boronic acid. Following Lipinski's Rule of Five, (Pyrimidin-5-yl)boronic acid has 2 hydrogen bond donor(s) and 4 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 (Pyrimidin-5-yl)boronic acid?
The CAS number of (Pyrimidin-5-yl)boronic acid is 696602-91-2.
What is the molecular formula of (Pyrimidin-5-yl)boronic acid?
The molecular formula of (Pyrimidin-5-yl)boronic acid is C4H5BN2O2.
What is the molecular weight of (Pyrimidin-5-yl)boronic acid?
The molecular weight of (Pyrimidin-5-yl)boronic acid is 124.04 g/mol.
Where can I buy (Pyrimidin-5-yl)boronic acid?
You can request a quote for (Pyrimidin-5-yl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Pyrimidin-5-yl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (Pyrimidin-5-yl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.