Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate
TL;DR: Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate (CAS 950514-14-4) is a chemical compound with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-1H-pyrimidine-6-carboxylate
Also Known As: Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate, methyl 2-oxo-1H-pyrimidine-6-carboxylate, methyl 2-hydroxypyrimidine-4-carboxylate, methyl 2-oxo-2,3-dihydropyrimidine-4-carboxylate, Methyl 2-hydroxy-4-pyrimidinecarboxylate #
| Molecular Formula | C6H6N2O3 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.03784 |
| Heavy Atoms | 11 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 950514-14-4 |
|---|---|
| SMILES | COC(=O)C1=CC=NC(=O)N1 |
| InChIKey | BJFHABUKRPPLGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate (CAS 950514-14-4), with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol. IUPAC: methyl 2-oxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate
Property Insights of Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate
The XLogP value of -0.6 indicates that Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate has 1 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 Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate?
The CAS number of Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate is 950514-14-4.
What is the molecular formula of Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate?
The molecular formula of Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate is C6H6N2O3.
What is the molecular weight of Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate?
The molecular weight of Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate is 154.04 g/mol.
Where can I buy Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate?
You can request a quote for Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.