3'-Propargyl-3'-deoxythymidine
TL;DR: 3'-Propargyl-3'-deoxythymidine (CAS 128119-36-8) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-prop-2-ynyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-Propargyl-ddT, 3'-Propargyl-3'-deoxythymidine, 3 -Propargyl-3 -deoxythymidine, 3'-Deoxy-3'-(prop-2-yn-1-yl)thymidine, J1.772.353G
Technical Specifications
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.111 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.111 Da |
| Heavy Atoms | 19 |
| Complexity | 476.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)CC#C |
| InChIKey | CXDXZGAIJCYUCT-HBNTYKKESA-N |
Chemical Property Profile of 3'-Propargyl-3'-deoxythymidine
Property Insights of 3'-Propargyl-3'-deoxythymidine
The XLogP value of -1.2 indicates that 3'-Propargyl-3'-deoxythymidine 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 3'-Propargyl-3'-deoxythymidine. Following Lipinski's Rule of Five, 3'-Propargyl-3'-deoxythymidine 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 3'-Propargyl-3'-deoxythymidine?
The CAS number of 3'-Propargyl-3'-deoxythymidine is 128119-36-8.
What is the molecular formula of 3'-Propargyl-3'-deoxythymidine?
The molecular formula of 3'-Propargyl-3'-deoxythymidine is C13H16N2O4.
What is the molecular weight of 3'-Propargyl-3'-deoxythymidine?
The molecular weight of 3'-Propargyl-3'-deoxythymidine is 264.111 g/mol.
Where can I buy 3'-Propargyl-3'-deoxythymidine?
You can request a quote for 3'-Propargyl-3'-deoxythymidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Propargyl-3'-deoxythymidine?
Yes, CoreyChem provides custom synthesis services for 3'-Propargyl-3'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.