2'-deoxy-4'-ethynyl-5-fluorouridine
TL;DR: 2'-deoxy-4'-ethynyl-5-fluorouridine (CAS 311348-91-1) is a chemical compound with molecular formula C11H11FN2O5 and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
Also Known As: 2'-deoxy-4'-ethynyl-5-fluorouridine, Uridine,2'-deoxy-4'-C-ethynyl-5-fluoro-, J1.445.855G, 1-(2-Deoxy-4-C-ethynyl-beta-D-ribo-pentofuranosyl)-5-fluorouracil, 1-(4-C-Ethynyl-2-deoxy-beta-D-ribo-pentofuranosyl)-5-fluorouracil
| Molecular Formula | C11H11FN2O5 |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.0652 |
| Heavy Atoms | 19 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 311348-91-1 |
|---|---|
| SMILES | C#C[C@]1([C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O)CO |
| InChIKey | MHWLGEGZFMYHPW-VAOFZXAKSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2'-deoxy-4'-ethynyl-5-fluorouridine (CAS 311348-91-1), with molecular formula C11H11FN2O5 and molecular weight 270.07 g/mol. IUPAC: 1-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione.
Chemical Property Profile of 2'-deoxy-4'-ethynyl-5-fluorouridine
Property Insights of 2'-deoxy-4'-ethynyl-5-fluorouridine
The XLogP value of -1.1 indicates that 2'-deoxy-4'-ethynyl-5-fluorouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-deoxy-4'-ethynyl-5-fluorouridine. Following Lipinski's Rule of Five, 2'-deoxy-4'-ethynyl-5-fluorouridine has 3 hydrogen bond donor(s) and 6 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 2'-deoxy-4'-ethynyl-5-fluorouridine?
The CAS number of 2'-deoxy-4'-ethynyl-5-fluorouridine is 311348-91-1.
What is the molecular formula of 2'-deoxy-4'-ethynyl-5-fluorouridine?
The molecular formula of 2'-deoxy-4'-ethynyl-5-fluorouridine is C11H11FN2O5.
What is the molecular weight of 2'-deoxy-4'-ethynyl-5-fluorouridine?
The molecular weight of 2'-deoxy-4'-ethynyl-5-fluorouridine is 270.07 g/mol.
Where can I buy 2'-deoxy-4'-ethynyl-5-fluorouridine?
You can request a quote for 2'-deoxy-4'-ethynyl-5-fluorouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-deoxy-4'-ethynyl-5-fluorouridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-deoxy-4'-ethynyl-5-fluorouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.