(2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol
TL;DR: (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol (CAS 306305-08-8) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol
Also Known As: J1.445.866B, 9-(2-Deoxy-4-C-ethynyl-beta-D-ribo-pentofuranosyl) purine, 9-(4-C-Ethynyl-2-deoxy-beta-D-ribo-pentofuranosyl)-9H-purine, (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol, 9-(2-Deoxy-4-C-ethynyl-
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 306305-08-8 |
|---|---|
| SMILES | C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=CN=CN=C32)O)CO |
| InChIKey | WKHUPTOWRXYBRB-HOSYDEDBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol (CAS 306305-08-8), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yloxolan-3-ol.
Chemical Property Profile of (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol
Property Insights of (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol
The XLogP value of -0.7 indicates that (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol. Following Lipinski's Rule of Five, (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol has 2 hydrogen bond donor(s) and 6 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 (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol?
The CAS number of (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol is 306305-08-8.
What is the molecular formula of (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol?
The molecular formula of (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol is C12H12N4O3.
What is the molecular weight of (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol?
The molecular weight of (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol is 260.09 g/mol.
Where can I buy (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol?
You can request a quote for (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S,5R)-2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.