2'-Deoxy-2'-ethynyluridine
TL;DR: 2'-Deoxy-2'-ethynyluridine (CAS 517893-32-2) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,3R,4S,5R)-3-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Also Known As: 2'-Deoxy-2'-ethynyluridine, 2'-Ethynyl-2'-deoxyuridine, 2 -Ethynyl-2 -deoxyuridine, J1.859.283E, 1-(2-C-Ethynyl-2-deoxy-beta-D-ribo-pentofuranosyl)uracil
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | -1.9634 |
| Topological Polar Surface Area | 104.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 584.07684 |
Chemical Identifiers
| CAS Number | 517893-32-2 |
|---|---|
| SMILES | C#C[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O |
Product Overview
2'-Deoxy-2'-ethynyluridine (CAS 517893-32-2), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: 1-[(2R,3R,4S,5R)-3-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 2'-Deoxy-2'-ethynyluridine
Property Insights of 2'-Deoxy-2'-ethynyluridine
The XLogP value of -1.9634 indicates that 2'-Deoxy-2'-ethynyluridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-2'-ethynyluridine. Following Lipinski's Rule of Five, 2'-Deoxy-2'-ethynyluridine 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 2'-Deoxy-2'-ethynyluridine?
The CAS number of 2'-Deoxy-2'-ethynyluridine is 517893-32-2.
What is the molecular formula of 2'-Deoxy-2'-ethynyluridine?
The molecular formula of 2'-Deoxy-2'-ethynyluridine is C11H12N2O5.
What is the molecular weight of 2'-Deoxy-2'-ethynyluridine?
The molecular weight of 2'-Deoxy-2'-ethynyluridine is 252.07 g/mol.
Where can I buy 2'-Deoxy-2'-ethynyluridine?
You can request a quote for 2'-Deoxy-2'-ethynyluridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-2'-ethynyluridine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-2'-ethynyluridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.