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methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate
TL;DR: methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate (CAS 118450-85-4) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.04874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxopyrimido[1,2-a]pyrimidine-2-carboxylate
Also Known As: ZERO/004928, methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate, 4-OXO-4H-PYRIMIDO[1,2-A]PYRIMIDINE-2-CARBOXYLIC ACID METHYL ESTER, methyl 4-oxopyrimido[1,2-a]pyrimidine-2-carboxylate, methyl 4-oxo-4H-[1,3]diazino[1,2-a]pyrimidine-2-carboxylate
Technical Specifications
| Molecular Formula | C9H7N3O3 |
| Molecular Weight | 205.04874 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04874 Da |
| Heavy Atoms | 15 |
| Complexity | 446.0 |
| SMILES | COC(=O)C1=CC(=O)N2C=CC=NC2=N1 |
| InChIKey | CHHYVCCLMDOANZ-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate
Property Insights of methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate
The XLogP value of -0.7 indicates that methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate?
The CAS number of methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate is 118450-85-4.
What is the molecular formula of methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate?
The molecular formula of methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate is C9H7N3O3.
What is the molecular weight of methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate?
The molecular weight of methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate is 205.04874 g/mol.
Where can I buy methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate?
You can request a quote for methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.