Emitefur
TL;DR: Emitefur (CAS 110690-43-2) is a chemical compound with molecular formula C28H19FN4O8 and molecular weight 558.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-benzoyloxy-3-cyano-2-pyridinyl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate
Also Known As: Emitefur, emitefurum, Emitefur [INN], Lastf, Last-F
| Molecular Formula | C28H19FN4O8 |
|---|---|
| Molecular Weight | 558.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 558.1187 |
| Heavy Atoms | 41 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 110690-43-2 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Emitefur (CAS 110690-43-2), with molecular formula C28H19FN4O8 and molecular weight 558.12 g/mol. IUPAC: (6-benzoyloxy-3-cyano-2-pyridinyl) 3-[3-(ethoxymethyl)-5-fluoro-2,6-dioxopyrimidine-1-carbonyl]benzoate.
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
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 558.12 g/mol.
Where can I buy Emitefur?
You can request a quote for Emitefur directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Emitefur?
Yes, KEHONG BIO provides custom synthesis services for Emitefur and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.