3'-Deoxy-4'-(trifluoromethyl)thymidine
TL;DR: 3'-Deoxy-4'-(trifluoromethyl)thymidine (CAS 171108-84-2) is a chemical compound with molecular formula C11H13F3N2O4 and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,5S)-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-Deoxy-4'-(trifluoromethyl)thymidine, 3'-Deoxy-4'-C-(trifluoromethyl)thymidine, 3 -Deoxy-4 -(trifluoromethyl)thymidine, 3 -Deoxy-4 -C-(trifluoromethyl)thymidine, 1-[(2R,5S)-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C11H13F3N2O4 |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.08273 |
| Heavy Atoms | 20 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 171108-84-2 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2CC[C@](O2)(CO)C(F)(F)F |
| InChIKey | QATUTYLKKZNIPQ-XCBNKYQSSA-N |
Product Overview
3'-Deoxy-4'-(trifluoromethyl)thymidine (CAS 171108-84-2), with molecular formula C11H13F3N2O4 and molecular weight 294.08 g/mol. IUPAC: 1-[(2R,5S)-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 3'-Deoxy-4'-(trifluoromethyl)thymidine
Property Insights of 3'-Deoxy-4'-(trifluoromethyl)thymidine
The XLogP value of -0.7 indicates that 3'-Deoxy-4'-(trifluoromethyl)thymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Deoxy-4'-(trifluoromethyl)thymidine. Following Lipinski's Rule of Five, 3'-Deoxy-4'-(trifluoromethyl)thymidine has 2 hydrogen bond donor(s) and 7 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'-Deoxy-4'-(trifluoromethyl)thymidine?
The CAS number of 3'-Deoxy-4'-(trifluoromethyl)thymidine is 171108-84-2.
What is the molecular formula of 3'-Deoxy-4'-(trifluoromethyl)thymidine?
The molecular formula of 3'-Deoxy-4'-(trifluoromethyl)thymidine is C11H13F3N2O4.
What is the molecular weight of 3'-Deoxy-4'-(trifluoromethyl)thymidine?
The molecular weight of 3'-Deoxy-4'-(trifluoromethyl)thymidine is 294.08 g/mol.
Where can I buy 3'-Deoxy-4'-(trifluoromethyl)thymidine?
You can request a quote for 3'-Deoxy-4'-(trifluoromethyl)thymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-Deoxy-4'-(trifluoromethyl)thymidine?
Yes, KEHONG BIO provides custom synthesis services for 3'-Deoxy-4'-(trifluoromethyl)thymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.