2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine
TL;DR: 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine (CAS 1097733-37-3) is a chemical compound with molecular formula C12H12N2O4 and molecular weight 248.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,5R)-5-ethynyl-5-(hydroxymethyl)-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: Censavudine, Festinavir, 4'-ethynylstavudine, censavudina, censavudinum
Technical Specifications
| Molecular Formula | C12H12N2O4 |
| Molecular Weight | 248.07971 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.07971 Da |
| Heavy Atoms | 18 |
| Complexity | 513.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@](O2)(CO)C#C |
| InChIKey | OSYWBJSVKUFFSU-SKDRFNHKSA-N |
Chemical Property Profile of 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine
Property Insights of 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine
The XLogP value of -0.7 indicates that 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine. Following Lipinski's Rule of Five, 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine has 2 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 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine?
The CAS number of 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine is 1097733-37-3.
What is the molecular formula of 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine?
The molecular formula of 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine is C12H12N2O4.
What is the molecular weight of 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine?
The molecular weight of 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine is 248.07971 g/mol.
Where can I buy 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine?
You can request a quote for 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine?
Yes, CoreyChem provides custom synthesis services for 2',3'-Didehydro-3'-deoxy-4'-ethynylthymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.