Emitefur
TL;DR: Emitefur (CAS 110690-43-2) is a chemical compound with molecular formula C28H19FN4O8 and molecular weight 558.1187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-benzoyloxy-3-cyano-2-pyridinyl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate
Also Known As: Emitefur, BOF-A2, emitefurum, Emitefur [INN], Lastf
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H19FN4O8 |
| Molecular Weight | 558.1187 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 558.1187 Da |
| Heavy Atoms | 41 |
| Complexity | 1110.0 |
| SMILES | CCOCN1C=C(C(=O)N(C1=O)C(=O)C2=CC(=CC=C2)C(=O)OC3=C(C=CC(=N3)OC(=O)C4=CC=CC=C4)C#N)F |
| InChIKey | WTSKMKRYHATLLL-UHFFFAOYSA-N |
Chemical Property Profile of Emitefur
Property Insights of Emitefur
The XLogP value of 3.6 indicates that Emitefur is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Emitefur may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Emitefur has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Emitefur?
The CAS number of Emitefur is 110690-43-2.
What is the molecular formula of Emitefur?
The molecular formula of Emitefur is C28H19FN4O8.
What is the molecular weight of Emitefur?
The molecular weight of Emitefur is 558.1187 g/mol.
Where can I buy Emitefur?
You can request a quote for Emitefur directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Emitefur?
Yes, CoreyChem provides custom synthesis services for Emitefur and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.