6'-(R)-Ethynyl-NPA
TL;DR: 6'-(R)-Ethynyl-NPA (CAS 19539-34-5) is a chemical compound with molecular formula C13H13N5O3 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-[(1R)-1-hydroxyprop-2-ynyl]cyclopent-3-ene-1,2-diol
Also Known As: 6'-(R)-Ethynyl-NPA, KST-1A2440, (1s,2r,5r)-5-(6-amino-9h-purin-9-yl)-3-[(1r)-1-hydroxyprop-2-yn-1-yl]cyclopent-3-ene-1,2-diol, 3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)-3-((1R)-1-hydroxy-2-propynyl)-, (1S,2R,5R)-, (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-[(1R)-1-hydroxyprop-2-ynyl]cyclopent-3-ene-1,2-diol
| Molecular Formula | C13H13N5O3 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.10184 |
| Heavy Atoms | 21 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 19539-34-5 |
|---|---|
| SMILES | C#C[C@H](C1=C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N)O |
| InChIKey | AKFIFNJGVGBSCR-OYBPUVFXSA-N |
Product Overview
6'-(R)-Ethynyl-NPA (CAS 19539-34-5), with molecular formula C13H13N5O3 and molecular weight 287.10 g/mol. IUPAC: (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-[(1R)-1-hydroxyprop-2-ynyl]cyclopent-3-ene-1,2-diol.
Chemical Property Profile of 6'-(R)-Ethynyl-NPA
Property Insights of 6'-(R)-Ethynyl-NPA
The XLogP value of -1.7 indicates that 6'-(R)-Ethynyl-NPA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6'-(R)-Ethynyl-NPA. Following Lipinski's Rule of Five, 6'-(R)-Ethynyl-NPA has 4 hydrogen bond donor(s) and 7 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 6'-(R)-Ethynyl-NPA?
The CAS number of 6'-(R)-Ethynyl-NPA is 19539-34-5.
What is the molecular formula of 6'-(R)-Ethynyl-NPA?
The molecular formula of 6'-(R)-Ethynyl-NPA is C13H13N5O3.
What is the molecular weight of 6'-(R)-Ethynyl-NPA?
The molecular weight of 6'-(R)-Ethynyl-NPA is 287.10 g/mol.
Where can I buy 6'-(R)-Ethynyl-NPA?
You can request a quote for 6'-(R)-Ethynyl-NPA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-(R)-Ethynyl-NPA?
Yes, KEHONG BIO provides custom synthesis services for 6'-(R)-Ethynyl-NPA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.