1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine
TL;DR: 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine (CAS 115913-85-4) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,3S,4S,5S)-4-ethynyl-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-Ethynyl-araT, 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine, 1-(3-Ethynyl-3-deoxy-.beta.-D-arabinofuranosyl)thymine, 1-(3-Deoxy-3-ethynyl-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione, 1-[(2R,3S,4S,5S)-4-ethynyl-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C12H14N2O5 |
| Molecular Weight | 266.09027 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.09027 Da |
| Heavy Atoms | 19 |
| Complexity | 492.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)C#C)O |
| InChIKey | ZMEWUTQYJCMMHP-SDNRWEOFSA-N |
Chemical Property Profile of 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine
Property Insights of 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine
The XLogP value of -1.5 indicates that 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine 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 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine. Following Lipinski's Rule of Five, 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine 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
What is the CAS number of 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine?
The CAS number of 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine is 115913-85-4.
What is the molecular formula of 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine?
The molecular formula of 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine is C12H14N2O5.
What is the molecular weight of 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine?
The molecular weight of 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine is 266.09027 g/mol.
Where can I buy 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine?
You can request a quote for 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine?
Yes, CoreyChem provides custom synthesis services for 1-(3-Ethynyl-3-deoxy-beta-D-arabinofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.