2'-Deoxy-2'-(trifluoromethyl)Cytidine
TL;DR: 2'-Deoxy-2'-(trifluoromethyl)Cytidine (CAS 614735-33-0) is a chemical compound with molecular formula C10H12F3N3O4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
Also Known As: 2'-Deoxy-2'-(trifluoromethyl)Cytidine, 2 -(Trifluoromethyl)-2 -deoxycytidine, J1.927.889A, 4-Amino-1-((2R,3R,4S,5R)-4-hydroxy-5-hydroxymethyl-3-trifluoromethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one, 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
| Molecular Formula | C10H12F3N3O4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.078 |
| Heavy Atoms | 20 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 614735-33-0 |
|---|---|
| SMILES | C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)C(F)(F)F |
| InChIKey | NQDBUQKNVZSCEV-XVFCMESISA-N |
Product Overview
2'-Deoxy-2'-(trifluoromethyl)Cytidine (CAS 614735-33-0), with molecular formula C10H12F3N3O4 and molecular weight 295.08 g/mol. IUPAC: 4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one.
Chemical Property Profile of 2'-Deoxy-2'-(trifluoromethyl)Cytidine
Property Insights of 2'-Deoxy-2'-(trifluoromethyl)Cytidine
The XLogP value of -0.8 indicates that 2'-Deoxy-2'-(trifluoromethyl)Cytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Deoxy-2'-(trifluoromethyl)Cytidine. Following Lipinski's Rule of Five, 2'-Deoxy-2'-(trifluoromethyl)Cytidine 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
Frequently Asked Questions
What is the CAS number of 2'-Deoxy-2'-(trifluoromethyl)Cytidine?
The CAS number of 2'-Deoxy-2'-(trifluoromethyl)Cytidine is 614735-33-0.
What is the molecular formula of 2'-Deoxy-2'-(trifluoromethyl)Cytidine?
The molecular formula of 2'-Deoxy-2'-(trifluoromethyl)Cytidine is C10H12F3N3O4.
What is the molecular weight of 2'-Deoxy-2'-(trifluoromethyl)Cytidine?
The molecular weight of 2'-Deoxy-2'-(trifluoromethyl)Cytidine is 295.08 g/mol.
Where can I buy 2'-Deoxy-2'-(trifluoromethyl)Cytidine?
You can request a quote for 2'-Deoxy-2'-(trifluoromethyl)Cytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Deoxy-2'-(trifluoromethyl)Cytidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Deoxy-2'-(trifluoromethyl)Cytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.