1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine
TL;DR: 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine (CAS 124355-35-7) is a chemical compound with molecular formula C12H15N5O5 and molecular weight 309.10733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(1,2,4-triazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine, 1-[2-(1,2,4-Triazol-1-yl)-2-deoxy-.beta.-D-xylofuranosyl]thymine, 1-[2-(1H-1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl]thymine, 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(1,2,4-triazol-1-yl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione, 1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-(1,2,4-triazol-1-yl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C12H15N5O5 |
| Molecular Weight | 309.10733 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.10733 Da |
| Heavy Atoms | 22 |
| Complexity | 512.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)CO)O)N3C=NC=N3 |
| InChIKey | ZKWBGZVKUJRYAY-SDNRWEOFSA-N |
Chemical Property Profile of 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine
Property Insights of 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine
The XLogP value of -1.6 indicates that 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine. Following Lipinski's Rule of Five, 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine?
The CAS number of 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine is 124355-35-7.
What is the molecular formula of 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine?
The molecular formula of 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine is C12H15N5O5.
What is the molecular weight of 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine?
The molecular weight of 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine is 309.10733 g/mol.
Where can I buy 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine?
You can request a quote for 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine?
Yes, CoreyChem provides custom synthesis services for 1-(2-(1,2,4-Triazol-1-yl)-2-deoxy-beta-D-xylofuranosyl)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.