Thymidine, 3'-deoxy-3'-isoselenocyanato-
TL;DR: Thymidine, 3'-deoxy-3'-isoselenocyanato- (CAS 130945-06-1) is a chemical compound with molecular formula C11H13N3O4Se and molecular weight 331.00714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isoselenocyanatooxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-isoselenocyano ddT, 3'-Deoxy-3'-isoselenocyanothymidine, Thymidine, 3'-deoxy-3'-isoselenocyanato-, 3'-Deoxy-3'-isoselenocyanatothymidine, 1-[(2R,4S,5S)-5-(hydroxymethyl)-4-isoselenocyanato-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C11H13N3O4Se |
| Molecular Weight | 331.00714 g/mol |
| XLogP | -1.43278 |
| Topological Polar Surface Area (TPSA) | 91.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.00714 Da |
| Heavy Atoms | 19 |
| Complexity | 486.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=C=[Se] |
| InChIKey | KAGHUWHTKRCNPD-DJLDLDEBSA-N |
Chemical Property Profile of Thymidine, 3'-deoxy-3'-isoselenocyanato-
Property Insights of Thymidine, 3'-deoxy-3'-isoselenocyanato-
The XLogP value of -1.43278 indicates that Thymidine, 3'-deoxy-3'-isoselenocyanato- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-deoxy-3'-isoselenocyanato-. Following Lipinski's Rule of Five, Thymidine, 3'-deoxy-3'-isoselenocyanato- has 2 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, 3'-deoxy-3'-isoselenocyanato-?
The CAS number of Thymidine, 3'-deoxy-3'-isoselenocyanato- is 130945-06-1.
What is the molecular formula of Thymidine, 3'-deoxy-3'-isoselenocyanato-?
The molecular formula of Thymidine, 3'-deoxy-3'-isoselenocyanato- is C11H13N3O4Se.
What is the molecular weight of Thymidine, 3'-deoxy-3'-isoselenocyanato-?
The molecular weight of Thymidine, 3'-deoxy-3'-isoselenocyanato- is 331.00714 g/mol.
Where can I buy Thymidine, 3'-deoxy-3'-isoselenocyanato-?
You can request a quote for Thymidine, 3'-deoxy-3'-isoselenocyanato- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thymidine, 3'-deoxy-3'-isoselenocyanato-?
Yes, CoreyChem provides custom synthesis services for Thymidine, 3'-deoxy-3'-isoselenocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.