Cyanothymidine
TL;DR: Cyanothymidine (CAS 116195-58-5) is a chemical compound with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile
Also Known As: Cyanothymidine, 3'-cyano-3'-deoxythymidine, 3'-CNddT, 3'-C-Cyano-3'-deoxythymidine, Thymidine,3'-cyano-3'-deoxy-
| Molecular Formula | C11H13N3O4 |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.0906 |
| Heavy Atoms | 18 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 116195-58-5 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)C#N |
| InChIKey | LFAIUPXHKWZRNL-IWSPIJDZSA-N |
Product Overview
Cyanothymidine (CAS 116195-58-5), with molecular formula C11H13N3O4 and molecular weight 251.09 g/mol. IUPAC: (2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile.
Chemical Property Profile of Cyanothymidine
Property Insights of Cyanothymidine
The XLogP value of -1.2 indicates that Cyanothymidine 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 Cyanothymidine. Following Lipinski's Rule of Five, Cyanothymidine 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
Frequently Asked Questions
What is the CAS number of Cyanothymidine?
The CAS number of Cyanothymidine is 116195-58-5.
What is the molecular formula of Cyanothymidine?
The molecular formula of Cyanothymidine is C11H13N3O4.
What is the molecular weight of Cyanothymidine?
The molecular weight of Cyanothymidine is 251.09 g/mol.
Where can I buy Cyanothymidine?
You can request a quote for Cyanothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanothymidine?
Yes, KEHONG BIO provides custom synthesis services for Cyanothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.