Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate
TL;DR: Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate (CAS 134767-53-6) is a chemical compound with molecular formula C18H26N2O5 and molecular weight 350.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl octanoate
Also Known As: 5'-capryl-D4T, Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate, 5'-Capryl-2',3'-dideoxy-2',3'-didehydrothymidine, 2 ,3 -Didehydro-3 -deoxythymidine 5 -octanoate, [(2S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl octanoate
Technical Specifications
| Molecular Formula | C18H26N2O5 |
| Molecular Weight | 350.18417 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 350.18417 Da |
| Heavy Atoms | 25 |
| Complexity | 570.0 |
| SMILES | CCCCCCCC(=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C |
| InChIKey | MRVOKZZTKVXBSG-LSDHHAIUSA-N |
Chemical Property Profile of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate
Property Insights of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate. Following Lipinski's Rule of Five, Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate has 1 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 Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate?
The CAS number of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate is 134767-53-6.
What is the molecular formula of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate?
The molecular formula of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate is C18H26N2O5.
What is the molecular weight of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate?
The molecular weight of Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate is 350.18417 g/mol.
Where can I buy Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate?
You can request a quote for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate?
Yes, CoreyChem provides custom synthesis services for Thymidine, 2',3'-didehydro-3'-deoxy-, 5'-octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.