4'-Cyano-2'-deoxycytidine
TL;DR: 4'-Cyano-2'-deoxycytidine (CAS 139888-13-4) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.08586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-(hydroxymethyl)oxolane-2-carbonitrile
Also Known As: 4'-Cyano-2'-deoxycytidine, 4'-CNdC, Cytidine, 4'-cyano-2'-deoxy-, 4 -Cyano-2 -deoxycytidine, J1.159.042J
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12N4O4 |
| Molecular Weight | 252.08586 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08586 Da |
| Heavy Atoms | 18 |
| Complexity | 480.0 |
| SMILES | C1[C@@H]([C@](O[C@H]1N2C=CC(=NC2=O)N)(CO)C#N)O |
| InChIKey | WOFZQOCKSAPKFH-SKWCMTHISA-N |
Chemical Property Profile of 4'-Cyano-2'-deoxycytidine
Property Insights of 4'-Cyano-2'-deoxycytidine
The XLogP value of -2.1 indicates that 4'-Cyano-2'-deoxycytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Cyano-2'-deoxycytidine. Following Lipinski's Rule of Five, 4'-Cyano-2'-deoxycytidine has 3 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'-Cyano-2'-deoxycytidine?
The CAS number of 4'-Cyano-2'-deoxycytidine is 139888-13-4.
What is the molecular formula of 4'-Cyano-2'-deoxycytidine?
The molecular formula of 4'-Cyano-2'-deoxycytidine is C10H12N4O4.
What is the molecular weight of 4'-Cyano-2'-deoxycytidine?
The molecular weight of 4'-Cyano-2'-deoxycytidine is 252.08586 g/mol.
Where can I buy 4'-Cyano-2'-deoxycytidine?
You can request a quote for 4'-Cyano-2'-deoxycytidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Cyano-2'-deoxycytidine?
Yes, CoreyChem provides custom synthesis services for 4'-Cyano-2'-deoxycytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.