3-(2-Cyanoethyl)thymidine
TL;DR: 3-(2-Cyanoethyl)thymidine (CAS 75433-27-1) is a chemical compound with molecular formula C13H17N3O5 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propanenitrile
Also Known As: 3-(2-Cyanoethyl)thymidine, 3- thymidine, 3-(2-cyanoethyl)thmidine, Thymidine, 3-(2-cyanoethyl)-, 3-(2-cyano-ethyl)-thymidine
| Molecular Formula | C13H17N3O5 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.11682 |
| Heavy Atoms | 21 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 75433-27-1 |
|---|---|
| SMILES | CC1=CN(C(=O)N(C1=O)CCC#N)[C@H]2C[C@@H]([C@H](O2)CO)O |
| InChIKey | JQUAFYUNOCCDRA-HBNTYKKESA-N |
Product Overview
3-(2-Cyanoethyl)thymidine (CAS 75433-27-1), with molecular formula C13H17N3O5 and molecular weight 295.12 g/mol. IUPAC: 3-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propanenitrile.
Chemical Property Profile of 3-(2-Cyanoethyl)thymidine
Property Insights of 3-(2-Cyanoethyl)thymidine
The XLogP value of -1.3 indicates that 3-(2-Cyanoethyl)thymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Cyanoethyl)thymidine. Following Lipinski's Rule of Five, 3-(2-Cyanoethyl)thymidine has 2 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-(2-Cyanoethyl)thymidine?
The CAS number of 3-(2-Cyanoethyl)thymidine is 75433-27-1.
What is the molecular formula of 3-(2-Cyanoethyl)thymidine?
The molecular formula of 3-(2-Cyanoethyl)thymidine is C13H17N3O5.
What is the molecular weight of 3-(2-Cyanoethyl)thymidine?
The molecular weight of 3-(2-Cyanoethyl)thymidine is 295.12 g/mol.
Where can I buy 3-(2-Cyanoethyl)thymidine?
You can request a quote for 3-(2-Cyanoethyl)thymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Cyanoethyl)thymidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Cyanoethyl)thymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.