3'-Cyanomethyl-3'-deoxythymidine
TL;DR: 3'-Cyanomethyl-3'-deoxythymidine (CAS 128119-37-9) is a chemical compound with molecular formula C12H15N3O4 and molecular weight 265.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetonitrile
Also Known As: 3'-CH2CN-ddT, 3'-Cyanomethyl-3'-deoxythymidine, 3'-(Cyanomethyl)-3'-deoxythymidine, 2-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]acetonitrile, 2-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetonitrile
Technical Specifications
| Molecular Formula | C12H15N3O4 |
| Molecular Weight | 265.10626 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.10626 Da |
| Heavy Atoms | 19 |
| Complexity | 479.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)CC#N |
| InChIKey | LFZKLZXNGCWJFS-IVZWLZJFSA-N |
Chemical Property Profile of 3'-Cyanomethyl-3'-deoxythymidine
Property Insights of 3'-Cyanomethyl-3'-deoxythymidine
The XLogP value of -2.1 indicates that 3'-Cyanomethyl-3'-deoxythymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Cyanomethyl-3'-deoxythymidine. Following Lipinski's Rule of Five, 3'-Cyanomethyl-3'-deoxythymidine 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 3'-Cyanomethyl-3'-deoxythymidine?
The CAS number of 3'-Cyanomethyl-3'-deoxythymidine is 128119-37-9.
What is the molecular formula of 3'-Cyanomethyl-3'-deoxythymidine?
The molecular formula of 3'-Cyanomethyl-3'-deoxythymidine is C12H15N3O4.
What is the molecular weight of 3'-Cyanomethyl-3'-deoxythymidine?
The molecular weight of 3'-Cyanomethyl-3'-deoxythymidine is 265.10626 g/mol.
Where can I buy 3'-Cyanomethyl-3'-deoxythymidine?
You can request a quote for 3'-Cyanomethyl-3'-deoxythymidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Cyanomethyl-3'-deoxythymidine?
Yes, CoreyChem provides custom synthesis services for 3'-Cyanomethyl-3'-deoxythymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.