5-Cyano-2'-deoxyuridine
TL;DR: 5-Cyano-2'-deoxyuridine (CAS 396726-51-5) is a chemical compound with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 5-Cyano-dUrd, 5-cyano-2'-deoxyuridine, Uridine, 5-cyano-2'-deoxy-, 5-CN-2'-dUrd, uridine, 3-15N-5-cyano-2'-deoxy-
| Molecular Formula | C10H11N3O5 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.06987 |
| Heavy Atoms | 18 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 396726-51-5 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#N)CO)O |
| InChIKey | FJZRCDHFLPXKEK-XLPZGREQSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Cyano-2'-deoxyuridine (CAS 396726-51-5), with molecular formula C10H11N3O5 and molecular weight 253.07 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 5-Cyano-2'-deoxyuridine
Property Insights of 5-Cyano-2'-deoxyuridine
The XLogP value of -1.6 indicates that 5-Cyano-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-Cyano-2'-deoxyuridine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Cyano-2'-deoxyuridine?
The CAS number of 5-Cyano-2'-deoxyuridine is 396726-51-5.
What is the molecular formula of 5-Cyano-2'-deoxyuridine?
The molecular formula of 5-Cyano-2'-deoxyuridine is C10H11N3O5.
What is the molecular weight of 5-Cyano-2'-deoxyuridine?
The molecular weight of 5-Cyano-2'-deoxyuridine is 253.07 g/mol.
Where can I buy 5-Cyano-2'-deoxyuridine?
You can request a quote for 5-Cyano-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.