5-Cyanouridine
TL;DR: 5-Cyanouridine (CAS 4425-57-4) is a chemical compound with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 5-Cyanouridine, 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
| Molecular Formula | C10H11N3O6 |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.0648 |
| Heavy Atoms | 19 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 4425-57-4 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)C#N |
| InChIKey | VIVLFSUDRCCWEF-UHFFFAOYSA-N |
Product Overview
5-Cyanouridine (CAS 4425-57-4), with molecular formula C10H11N3O6 and molecular weight 269.06 g/mol. IUPAC: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 5-Cyanouridine
Property Insights of 5-Cyanouridine
The XLogP value of -2.1 indicates that 5-Cyanouridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 5-Cyanouridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Cyanouridine has 4 hydrogen bond donor(s) and 7 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-Cyanouridine?
The CAS number of 5-Cyanouridine is 4425-57-4.
What is the molecular formula of 5-Cyanouridine?
The molecular formula of 5-Cyanouridine is C10H11N3O6.
What is the molecular weight of 5-Cyanouridine?
The molecular weight of 5-Cyanouridine is 269.06 g/mol.
Where can I buy 5-Cyanouridine?
You can request a quote for 5-Cyanouridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyanouridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyanouridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.