4'-CNddT
TL;DR: 4'-CNddT (CAS 139888-23-6) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile
Also Known As: 4'-CNddT, 3'-deoxy-4'-cyanothymidine, Thymidine, 4'-cyano-3'-deoxy- (9CI), 1-(4'-Cyano-2',3'-dideoxy-.beta.-D-ribofuranosyl)-thymine, (2R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13N3O4 |
| Molecular Weight | 251.0906 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0906 Da |
| Heavy Atoms | 18 |
| Complexity | 478.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@](O2)(CO)C#N |
| InChIKey | RLRDRMSYBMXVRT-LDYMZIIASA-N |
Chemical Property Profile of 4'-CNddT
Property Insights of 4'-CNddT
The XLogP value of -2.1 indicates that 4'-CNddT 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 4'-CNddT. Following Lipinski's Rule of Five, 4'-CNddT 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 4'-CNddT?
The CAS number of 4'-CNddT is 139888-23-6.
What is the molecular formula of 4'-CNddT?
The molecular formula of 4'-CNddT is C11H13N3O4.
What is the molecular weight of 4'-CNddT?
The molecular weight of 4'-CNddT is 251.0906 g/mol.
Where can I buy 4'-CNddT?
You can request a quote for 4'-CNddT directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-CNddT?
Yes, CoreyChem provides custom synthesis services for 4'-CNddT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.