Inosine,6-O-methyl-4'-C-(trifluoromethyl)-
TL;DR: Inosine,6-O-methyl-4'-C-(trifluoromethyl)- (CAS 219649-65-7) is a chemical compound with molecular formula C12H13F3N4O5 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-2-(trifluoromethyl)oxolane-3,4-diol
Also Known As: Inosine,6-O-methyl-4'-C-(trifluoromethyl)-, 9-(4-C-Trifluoromethyl-.beta.-D-ribo-furanosyl)-6-methoxypurine, (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-2-(trifluoromethyl)tetrahydrofuran-3,4-diol, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-2-(trifluoromethyl)oxolane-3,4-diol
| Molecular Formula | C12H13F3N4O5 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.0838 |
| Heavy Atoms | 24 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 219649-65-7 |
|---|---|
| SMILES | COC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@](O3)(CO)C(F)(F)F)O)O |
| InChIKey | JNARBPJEKYKAOV-LRMGWDNHSA-N |
Product Overview
Inosine,6-O-methyl-4'-C-(trifluoromethyl)- (CAS 219649-65-7), with molecular formula C12H13F3N4O5 and molecular weight 350.08 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)-2-(trifluoromethyl)oxolane-3,4-diol.
Chemical Property Profile of Inosine,6-O-methyl-4'-C-(trifluoromethyl)-
Property Insights of Inosine,6-O-methyl-4'-C-(trifluoromethyl)-
The XLogP value of -0.3 indicates that Inosine,6-O-methyl-4'-C-(trifluoromethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Inosine,6-O-methyl-4'-C-(trifluoromethyl)-. Following Lipinski's Rule of Five, Inosine,6-O-methyl-4'-C-(trifluoromethyl)- has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Inosine,6-O-methyl-4'-C-(trifluoromethyl)-?
The CAS number of Inosine,6-O-methyl-4'-C-(trifluoromethyl)- is 219649-65-7.
What is the molecular formula of Inosine,6-O-methyl-4'-C-(trifluoromethyl)-?
The molecular formula of Inosine,6-O-methyl-4'-C-(trifluoromethyl)- is C12H13F3N4O5.
What is the molecular weight of Inosine,6-O-methyl-4'-C-(trifluoromethyl)-?
The molecular weight of Inosine,6-O-methyl-4'-C-(trifluoromethyl)- is 350.08 g/mol.
Where can I buy Inosine,6-O-methyl-4'-C-(trifluoromethyl)-?
You can request a quote for Inosine,6-O-methyl-4'-C-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inosine,6-O-methyl-4'-C-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Inosine,6-O-methyl-4'-C-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.