4,5-Pyrimidinedicarboxylic acid
TL;DR: 4,5-Pyrimidinedicarboxylic acid (CAS 54001-63-7) is a chemical compound with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrimidine-4,5-dicarboxylic acid
Also Known As: 4,5-Pyrimidinedicarboxylic acid, pyrimidine-4,5-dicarboxylic acid, Pyrimidin-4,5-dicarbonsaeure, 4,5-Pyrimidinedicarboxylicacid, 4,5- Pyrimidinedicarboxylic acid
| Molecular Formula | C6H4N2O4 |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0171 |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 54001-63-7 |
|---|---|
| SMILES | C1=C(C(=NC=N1)C(=O)O)C(=O)O |
| InChIKey | HZMKWGOYWYBPRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Pyrimidinedicarboxylic acid (CAS 54001-63-7), with molecular formula C6H4N2O4 and molecular weight 168.02 g/mol. IUPAC: pyrimidine-4,5-dicarboxylic acid.
Chemical Property Profile of 4,5-Pyrimidinedicarboxylic acid
Property Insights of 4,5-Pyrimidinedicarboxylic acid
The XLogP value of -0.4 indicates that 4,5-Pyrimidinedicarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Pyrimidinedicarboxylic acid. Following Lipinski's Rule of Five, 4,5-Pyrimidinedicarboxylic acid has 2 hydrogen bond donor(s) and 6 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 4,5-Pyrimidinedicarboxylic acid?
The CAS number of 4,5-Pyrimidinedicarboxylic acid is 54001-63-7.
What is the molecular formula of 4,5-Pyrimidinedicarboxylic acid?
The molecular formula of 4,5-Pyrimidinedicarboxylic acid is C6H4N2O4.
What is the molecular weight of 4,5-Pyrimidinedicarboxylic acid?
The molecular weight of 4,5-Pyrimidinedicarboxylic acid is 168.02 g/mol.
Where can I buy 4,5-Pyrimidinedicarboxylic acid?
You can request a quote for 4,5-Pyrimidinedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Pyrimidinedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Pyrimidinedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.