三氟胸苷
TL;DR: 三氟胸苷 (CAS 70-00-8) is a chemical compound with molecular formula C10H11F3N2O5 and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟胸苷
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Also Known As: Trifluridine, TRIFLUOROTHYMIDINE, Viroptic, 5-Trifluorothymidine, Trifluridina
| Molecular Formula | C10H11F3N2O5 |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.062 |
| Heavy Atoms | 20 |
| Complexity | 464.0 |
| Melting Point | 186-189 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 70-00-8 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O |
| InChIKey | VSQQQLOSPVPRAZ-RRKCRQDMSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三氟胸苷 (CAS 70-00-8), with molecular formula C10H11F3N2O5 and molecular weight 296.06 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione.
Chemical Property Profile of 三氟胸苷
Property Insights of 三氟胸苷
The XLogP value of -0.5 indicates that 三氟胸苷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氟胸苷. Following Lipinski's Rule of Five, 三氟胸苷 has 3 hydrogen bond donor(s) and 8 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 三氟胸苷?
The CAS number of 三氟胸苷 is 70-00-8.
What is the molecular formula of 三氟胸苷?
The molecular formula of 三氟胸苷 is C10H11F3N2O5.
What is the molecular weight of 三氟胸苷?
The molecular weight of 三氟胸苷 is 296.06 g/mol.
Where can I buy 三氟胸苷?
You can request a quote for 三氟胸苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟胸苷?
Yes, KEHONG BIO provides custom synthesis services for 三氟胸苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.