3'-CN-araT
TL;DR: 3'-CN-araT (CAS 115913-83-2) is a chemical compound with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile
Also Known As: 3'-CN-araT, 1-(3-Cyano-3-deoxy-beta-D-arabinofuranosyl)thymine, 1-(3-Cyano-3-deoxy-.beta.-D-arabinofuranosyl)thymine, 2,4(1H,3H)-Pyrimidinedione, 1-(3-cyano-3-deoxy-beta-D-arabinofuranosyl)-5-methyl-, 1-(3-Cyano-3-deoxy-beta-D-arabinofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H13N3O5 |
|---|---|
| Molecular Weight | 267.09 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 | 267.0855 |
| Heavy Atoms | 19 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 115913-83-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)C#N)O |
| InChIKey | DWXOIPDJUIXUPY-BDNRQGISSA-N |
Product Overview
3'-CN-araT (CAS 115913-83-2), with molecular formula C11H13N3O5 and molecular weight 267.09 g/mol. IUPAC: (2S,3S,4S,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-3-carbonitrile.
Chemical Property Profile of 3'-CN-araT
Property Insights of 3'-CN-araT
The XLogP value of -1.6 indicates that 3'-CN-araT 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 3'-CN-araT. Following Lipinski's Rule of Five, 3'-CN-araT 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 3'-CN-araT?
The CAS number of 3'-CN-araT is 115913-83-2.
What is the molecular formula of 3'-CN-araT?
The molecular formula of 3'-CN-araT is C11H13N3O5.
What is the molecular weight of 3'-CN-araT?
The molecular weight of 3'-CN-araT is 267.09 g/mol.
Where can I buy 3'-CN-araT?
You can request a quote for 3'-CN-araT directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-CN-araT?
Yes, KEHONG BIO provides custom synthesis services for 3'-CN-araT and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.