Oxagrelate
TL;DR: Oxagrelate (CAS 56611-65-5) is a chemical compound with molecular formula C14H16N2O4 and molecular weight 276.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate
Also Known As: Phthalazinol, Oxagrelato, Oxagrelatum, Oxagrelate [USAN:INN], Oxagrelatum [INN-Latin]
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H16N2O4 |
| Molecular Weight | 276.111 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.111 Da |
| Heavy Atoms | 20 |
| Complexity | 435.0 |
| SMILES | CCOC(=O)C1=C(C2=C(C=C1C)C(=NNC2=O)CO)C |
| InChIKey | DUQOOLBWGUKRAJ-UHFFFAOYSA-N |
Chemical Property Profile of Oxagrelate
Property Insights of Oxagrelate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxagrelate. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxagrelate. Following Lipinski's Rule of Five, Oxagrelate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Oxagrelate?
The CAS number of Oxagrelate is 56611-65-5.
What is the molecular formula of Oxagrelate?
The molecular formula of Oxagrelate is C14H16N2O4.
What is the molecular weight of Oxagrelate?
The molecular weight of Oxagrelate is 276.111 g/mol.
Where can I buy Oxagrelate?
You can request a quote for Oxagrelate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Oxagrelate?
Yes, CoreyChem provides custom synthesis services for Oxagrelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.