Carbocyclic 2'-deoxy-5-ethynyluridine
TL;DR: Carbocyclic 2'-deoxy-5-ethynyluridine (CAS 114421-61-3) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethynyl-1-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Also Known As: Ethynyl-c-edu, C-5-ethynyl-2'-deoxyuridine, Carbocyclic 2'-deoxy-5-ethynyluridine, Carbocyclic 5-ethynyl-2'-deoxyuridine, 5-ethynyl-1-(3-hydroxy-4- -2,4 -pyrimidinedione
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.09535 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.09535 Da |
| Heavy Atoms | 18 |
| Complexity | 462.0 |
| SMILES | C#CC1=CN(C(=O)NC1=O)C2CC(C(C2)O)CO |
| InChIKey | OFNUFFYMOSNFTB-UHFFFAOYSA-N |
Chemical Property Profile of Carbocyclic 2'-deoxy-5-ethynyluridine
Property Insights of Carbocyclic 2'-deoxy-5-ethynyluridine
The XLogP value of -0.5 indicates that Carbocyclic 2'-deoxy-5-ethynyluridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbocyclic 2'-deoxy-5-ethynyluridine. Following Lipinski's Rule of Five, Carbocyclic 2'-deoxy-5-ethynyluridine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Carbocyclic 2'-deoxy-5-ethynyluridine?
The CAS number of Carbocyclic 2'-deoxy-5-ethynyluridine is 114421-61-3.
What is the molecular formula of Carbocyclic 2'-deoxy-5-ethynyluridine?
The molecular formula of Carbocyclic 2'-deoxy-5-ethynyluridine is C12H14N2O4.
What is the molecular weight of Carbocyclic 2'-deoxy-5-ethynyluridine?
The molecular weight of Carbocyclic 2'-deoxy-5-ethynyluridine is 250.09535 g/mol.
Where can I buy Carbocyclic 2'-deoxy-5-ethynyluridine?
You can request a quote for Carbocyclic 2'-deoxy-5-ethynyluridine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbocyclic 2'-deoxy-5-ethynyluridine?
Yes, CoreyChem provides custom synthesis services for Carbocyclic 2'-deoxy-5-ethynyluridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.