2-(3-Phenoxy-1-propynyl)-Adenosine
TL;DR: 2-(3-Phenoxy-1-propynyl)-Adenosine (CAS 313345-40-3) is a chemical compound with molecular formula C19H19N5O5 and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-amino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: 2-(3-Phenoxy-1-propynyl)-Adenosine, Adenosine, 2-(3-phenoxy-1-propynyl)-, (2R,3R,4S,5R)-2-[6-amino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
| Molecular Formula | C19H19N5O5 |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | -0.5495 |
| Topological Polar Surface Area | 148.77 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.1386 |
| Heavy Atoms | 29 |
| Complexity | 1061.2773 |
Chemical Identifiers
| CAS Number | 313345-40-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC#CC2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N |
Product Overview
2-(3-Phenoxy-1-propynyl)-Adenosine (CAS 313345-40-3), with molecular formula C19H19N5O5 and molecular weight 397.14 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-amino-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 2-(3-Phenoxy-1-propynyl)-Adenosine
Property Insights of 2-(3-Phenoxy-1-propynyl)-Adenosine
The XLogP value of -0.5495 indicates that 2-(3-Phenoxy-1-propynyl)-Adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.77 Ų indicates high polarity, suggesting 2-(3-Phenoxy-1-propynyl)-Adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-Phenoxy-1-propynyl)-Adenosine has 4 hydrogen bond donor(s) and 9 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 2-(3-Phenoxy-1-propynyl)-Adenosine?
The CAS number of 2-(3-Phenoxy-1-propynyl)-Adenosine is 313345-40-3.
What is the molecular formula of 2-(3-Phenoxy-1-propynyl)-Adenosine?
The molecular formula of 2-(3-Phenoxy-1-propynyl)-Adenosine is C19H19N5O5.
What is the molecular weight of 2-(3-Phenoxy-1-propynyl)-Adenosine?
The molecular weight of 2-(3-Phenoxy-1-propynyl)-Adenosine is 397.14 g/mol.
Where can I buy 2-(3-Phenoxy-1-propynyl)-Adenosine?
You can request a quote for 2-(3-Phenoxy-1-propynyl)-Adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Phenoxy-1-propynyl)-Adenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Phenoxy-1-propynyl)-Adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.