2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate
TL;DR: 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate (CAS 114832-72-3) is a chemical compound with molecular formula C6H8N2O5 and molecular weight 188.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-1,3-diazinane-4,6-dicarboxylic acid
Also Known As: HDDP, 2-oxo-1,3-diazinane-4,6-dicarboxylic acid, 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate, 2-Oxohexahydropyrimidine-4,6-dicarboxylic acid, 4,6-Pyrimidinedicarboxylicacid, hexahydro-2-oxo-
| Molecular Formula | C6H8N2O5 |
|---|---|
| Molecular Weight | 188.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.04332 |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 114832-72-3 |
|---|---|
| SMILES | C1C(NC(=O)NC1C(=O)O)C(=O)O |
| InChIKey | MTYSRYDOSXNPKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate (CAS 114832-72-3), with molecular formula C6H8N2O5 and molecular weight 188.04 g/mol. IUPAC: 2-oxo-1,3-diazinane-4,6-dicarboxylic acid.
Chemical Property Profile of 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate
Property Insights of 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate
The XLogP value of -1.2 indicates that 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate. Following Lipinski's Rule of Five, 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate has 4 hydrogen bond donor(s) and 5 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-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate?
The CAS number of 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate is 114832-72-3.
What is the molecular formula of 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate?
The molecular formula of 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate is C6H8N2O5.
What is the molecular weight of 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate?
The molecular weight of 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate is 188.04 g/mol.
Where can I buy 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate?
You can request a quote for 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-1,2,3,6-tetrahydropyrimidine-4,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.