Pyrimidine-5-carboxylic acid
TL;DR: Pyrimidine-5-carboxylic acid (CAS 4595-61-3) is a chemical compound with molecular formula C5H4N2O2 and molecular weight 124.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrimidine-5-carboxylic acid
Also Known As: Pyrimidine-5-carboxylic acid, 5-Pyrimidinecarboxylic acid, null, Phenampromide, 5-carboxypyrimidine
| Molecular Formula | C5H4N2O2 |
|---|---|
| Molecular Weight | 124.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 63.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.027275 |
| Heavy Atoms | 9 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 4595-61-3 |
|---|---|
| SMILES | C1=C(C=NC=N1)C(=O)O |
| InChIKey | IIVUJUOJERNGQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrimidine-5-carboxylic acid (CAS 4595-61-3), with molecular formula C5H4N2O2 and molecular weight 124.03 g/mol. IUPAC: pyrimidine-5-carboxylic acid.
Chemical Property Profile of Pyrimidine-5-carboxylic acid
Property Insights of Pyrimidine-5-carboxylic acid
The XLogP value of -0.3 indicates that Pyrimidine-5-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrimidine-5-carboxylic acid. Following Lipinski's Rule of Five, Pyrimidine-5-carboxylic acid has 1 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 Pyrimidine-5-carboxylic acid?
The CAS number of Pyrimidine-5-carboxylic acid is 4595-61-3.
What is the molecular formula of Pyrimidine-5-carboxylic acid?
The molecular formula of Pyrimidine-5-carboxylic acid is C5H4N2O2.
What is the molecular weight of Pyrimidine-5-carboxylic acid?
The molecular weight of Pyrimidine-5-carboxylic acid is 124.03 g/mol.
Where can I buy Pyrimidine-5-carboxylic acid?
You can request a quote for Pyrimidine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimidine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Pyrimidine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.