1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil
TL;DR: 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil (CAS 85714-55-2) is a chemical compound with molecular formula C11H12FN3O4 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-ethynyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil, 1-(2-Deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-5-[2-(trimethylsilyl)ethynyl]uracil, 2(1H)-pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-?-D-arabinofuranosyl)-5-ethynyl-, 4-Amino-1-(2-deoxy-2-fluoro-, A-D-arabinofuranosyl)-5-ethynyl-2(1H)-pyrimidinone
| Molecular Formula | C11H12FN3O4 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.08118 |
| Heavy Atoms | 19 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 85714-55-2 |
|---|---|
| SMILES | C#CC1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F |
| InChIKey | NJJYCPXWFZQVEP-IBCQBUCCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil (CAS 85714-55-2), with molecular formula C11H12FN3O4 and molecular weight 269.08 g/mol. IUPAC: 4-amino-5-ethynyl-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil
Property Insights of 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil
The XLogP value of -1.1 indicates that 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil. Following Lipinski's Rule of Five, 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil has 3 hydrogen bond donor(s) and 5 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 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil?
The CAS number of 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil is 85714-55-2.
What is the molecular formula of 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil?
The molecular formula of 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil is C11H12FN3O4.
What is the molecular weight of 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil?
The molecular weight of 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil is 269.08 g/mol.
Where can I buy 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil?
You can request a quote for 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(2-(trimethylsilyl)ethynyl)uracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.