3'-Deoxy-3'-fluorouridine
TL;DR: 3'-Deoxy-3'-fluorouridine (CAS 579444-77-2) is a chemical compound with molecular formula C9H11FN2O5 and molecular weight 246.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 3'-Deoxy-3'-fluorouridine, 3'-Fluoro-3'-deoxyuridine, Uridine, 3'-deoxy-3'-fluoro-, 3Deoxy-3fluorouridine, 3-Deoxy-3-fluorouridine
| Molecular Formula | C9H11FN2O5 |
|---|---|
| Molecular Weight | 246.07 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0652 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 579444-77-2 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)F)O |
| InChIKey | FVBOTRDLABQYMI-XVFCMESISA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3'-Deoxy-3'-fluorouridine (CAS 579444-77-2), with molecular formula C9H11FN2O5 and molecular weight 246.07 g/mol. IUPAC: 1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 3'-Deoxy-3'-fluorouridine
Property Insights of 3'-Deoxy-3'-fluorouridine
The XLogP value of -1.5 indicates that 3'-Deoxy-3'-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 3'-Deoxy-3'-fluorouridine. Following Lipinski's Rule of Five, 3'-Deoxy-3'-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 3'-Deoxy-3'-fluorouridine?
The CAS number of 3'-Deoxy-3'-fluorouridine is 579444-77-2.
What is the molecular formula of 3'-Deoxy-3'-fluorouridine?
The molecular formula of 3'-Deoxy-3'-fluorouridine is C9H11FN2O5.
What is the molecular weight of 3'-Deoxy-3'-fluorouridine?
The molecular weight of 3'-Deoxy-3'-fluorouridine is 246.07 g/mol.
Where can I buy 3'-Deoxy-3'-fluorouridine?
You can request a quote for 3'-Deoxy-3'-fluorouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxy-3'-fluorouridine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxy-3'-fluorouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.