2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine
TL;DR: 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine (CAS 158641-27-1) is a chemical compound with molecular formula C16H18FN5O7 and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: di-4-Anepps, 2',3',5'-Tri-O-acetyl-2-fluoroadenosine, 2-fluoro-2',3',5'-triacetoxyadenosine, 4CA-1371, 2\',3\',5\'-Tri-O-acetyl-2-fluoroadenosine
| Molecular Formula | C16H18FN5O7 |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.11902 |
| Heavy Atoms | 29 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 158641-27-1 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)F)N)OC(=O)C)OC(=O)C |
| InChIKey | LDICZLRLPNWOIS-UHFFFAOYSA-N |
Product Overview
2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine (CAS 158641-27-1), with molecular formula C16H18FN5O7 and molecular weight 411.12 g/mol. IUPAC: [3,4-diacetyloxy-5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine
Property Insights of 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine
The XLogP value of -0.3 indicates that 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine?
The CAS number of 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine is 158641-27-1.
What is the molecular formula of 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine?
The molecular formula of 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine is C16H18FN5O7.
What is the molecular weight of 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine?
The molecular weight of 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine is 411.12 g/mol.
Where can I buy 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine?
You can request a quote for 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-9-(2,3,5-tri-o-acetylpentofuranosyl)-9h-purin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.