Adenosine, 3'-C-(trifluoromethyl)-
TL;DR: Adenosine, 3'-C-(trifluoromethyl)- (CAS 162894-39-5) is a chemical compound with molecular formula C11H12F3N5O4 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-(trifluoromethyl)oxolane-3,4-diol
Also Known As: Adenosine, 3'-C-(trifluoromethyl)-, 9H-Purin-6-amine, 9-[3-C-(trifluoromethyl)-b-D-ribofuranosyl]-, (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-(trifluoromethyl)oxolane-3,4-diol, (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-(trifluoromethyl)tetrahydrofuran-3,4-diol
| Molecular Formula | C11H12F3N5O4 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | -1.0475 |
| Topological Polar Surface Area | 139.54 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.08414 |
| Heavy Atoms | 23 |
| Complexity | 738.0105 |
Chemical Identifiers
| CAS Number | 162894-39-5 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@]([C@H](O3)CO)(C(F)(F)F)O)O)N |
Product Overview
Adenosine, 3'-C-(trifluoromethyl)- (CAS 162894-39-5), with molecular formula C11H12F3N5O4 and molecular weight 335.08 g/mol. IUPAC: (2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-(trifluoromethyl)oxolane-3,4-diol.
Chemical Property Profile of Adenosine, 3'-C-(trifluoromethyl)-
Property Insights of Adenosine, 3'-C-(trifluoromethyl)-
The XLogP value of -1.0475 indicates that Adenosine, 3'-C-(trifluoromethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Adenosine, 3'-C-(trifluoromethyl)-. Following Lipinski's Rule of Five, Adenosine, 3'-C-(trifluoromethyl)- has 4 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 Adenosine, 3'-C-(trifluoromethyl)-?
The CAS number of Adenosine, 3'-C-(trifluoromethyl)- is 162894-39-5.
What is the molecular formula of Adenosine, 3'-C-(trifluoromethyl)-?
The molecular formula of Adenosine, 3'-C-(trifluoromethyl)- is C11H12F3N5O4.
What is the molecular weight of Adenosine, 3'-C-(trifluoromethyl)-?
The molecular weight of Adenosine, 3'-C-(trifluoromethyl)- is 335.08 g/mol.
Where can I buy Adenosine, 3'-C-(trifluoromethyl)-?
You can request a quote for Adenosine, 3'-C-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, 3'-C-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, 3'-C-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.