1-(1'-Cyanoribofuranosyl)thymine
TL;DR: 1-(1'-Cyanoribofuranosyl)thymine (CAS 1785-06-4) is a chemical compound with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile
Also Known As: 1-(1'-Cyanoribofuranosyl)thymine, 1'-C-cyano-5-methyluridine, 1-(1/'-cyanoribofuranosyl)thymine, KST-1A2099, 1(1-cyano-
| Molecular Formula | C11H13N3O6 |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.08044 |
| Heavy Atoms | 20 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 1785-06-4 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@]2([C@@H]([C@@H]([C@H](O2)CO)O)O)C#N |
| InChIKey | GIMIRPPAFUHVRA-KCGFPETGSA-N |
Product Overview
1-(1'-Cyanoribofuranosyl)thymine (CAS 1785-06-4), with molecular formula C11H13N3O6 and molecular weight 283.08 g/mol. IUPAC: (2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile.
Chemical Property Profile of 1-(1'-Cyanoribofuranosyl)thymine
Property Insights of 1-(1'-Cyanoribofuranosyl)thymine
The XLogP value of -1.8 indicates that 1-(1'-Cyanoribofuranosyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting 1-(1'-Cyanoribofuranosyl)thymine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(1'-Cyanoribofuranosyl)thymine 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 1-(1'-Cyanoribofuranosyl)thymine?
The CAS number of 1-(1'-Cyanoribofuranosyl)thymine is 1785-06-4.
What is the molecular formula of 1-(1'-Cyanoribofuranosyl)thymine?
The molecular formula of 1-(1'-Cyanoribofuranosyl)thymine is C11H13N3O6.
What is the molecular weight of 1-(1'-Cyanoribofuranosyl)thymine?
The molecular weight of 1-(1'-Cyanoribofuranosyl)thymine is 283.08 g/mol.
Where can I buy 1-(1'-Cyanoribofuranosyl)thymine?
You can request a quote for 1-(1'-Cyanoribofuranosyl)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1'-Cyanoribofuranosyl)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-(1'-Cyanoribofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.