5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine
TL;DR: 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine (CAS 100244-27-7) is a chemical compound with molecular formula C10H12F3N3O5 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2,2-trifluoroethyl)-1,2,4-triazine-3,5-dione
Also Known As: 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine, 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2,2-trifluoroethyl)-1,2,4-triazine-3,5-dione, 1,2,4-Triazine-3,5(2H,4H)-dione,2-(2-deoxy-b-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)-, 1,2,4-Triazine-3,5(2H,4H)-dione, 2-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)-, 2-(2-Deoxy-beta-D-erythro-pentofuranosyl)-6-(2,2,2-trifluoroethyl)-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C10H12F3N3O5 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.0729 |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 100244-27-7 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C(=N2)CC(F)(F)F)CO)O |
| InChIKey | ZELMDIQXLJNQQP-RRKCRQDMSA-N |
Product Overview
5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine (CAS 100244-27-7), with molecular formula C10H12F3N3O5 and molecular weight 311.07 g/mol. IUPAC: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(2,2,2-trifluoroethyl)-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine
Property Insights of 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine
The XLogP value of -0.2 indicates that 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine. Following Lipinski's Rule of Five, 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine has 3 hydrogen bond donor(s) and 9 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-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine?
The CAS number of 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine is 100244-27-7.
What is the molecular formula of 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine?
The molecular formula of 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine is C10H12F3N3O5.
What is the molecular weight of 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine?
The molecular weight of 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine is 311.07 g/mol.
Where can I buy 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine?
You can request a quote for 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,2,2-Trifluoroethyl)-6-aza-2'-deoxyuridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.