6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine
TL;DR: 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine (CAS 19839-61-3) is a chemical compound with molecular formula C17H16F4N4O7 and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-[6-fluoro-2-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methyl acetate
Also Known As: 6-fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine, [3,4-diacetyloxy-5-[6-fluoro-2-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methyl acetate
| Molecular Formula | C17H16F4N4O7 |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.09552 |
| Heavy Atoms | 32 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 19839-61-3 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3F)C(F)(F)F)OC(=O)C)OC(=O)C |
| InChIKey | WNPAKYXVCRXEGY-UHFFFAOYSA-N |
Product Overview
6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine (CAS 19839-61-3), with molecular formula C17H16F4N4O7 and molecular weight 464.10 g/mol. IUPAC: [3,4-diacetyloxy-5-[6-fluoro-2-(trifluoromethyl)purin-9-yl]oxolan-2-yl]methyl acetate.
Chemical Property Profile of 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine
Property Insights of 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine. Following Lipinski's Rule of Five, 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine?
The CAS number of 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine is 19839-61-3.
What is the molecular formula of 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine?
The molecular formula of 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine is C17H16F4N4O7.
What is the molecular weight of 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine?
The molecular weight of 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine is 464.10 g/mol.
Where can I buy 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine?
You can request a quote for 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine?
Yes, KEHONG BIO provides custom synthesis services for 6-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-2-(trifluoromethyl)-9h-purine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.