![2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine structure](/static/products/313/313345-41-4.png)
2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine
TL;DR: 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine (CAS 313345-41-4) is a chemical compound with molecular formula C20H18N6O5 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]prop-2-ynoxy]benzonitrile
Also Known As: 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine
| Molecular Formula | C20H18N6O5 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | -0.67782 |
| Topological Polar Surface Area | 172.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.13388 |
| Heavy Atoms | 31 |
| Complexity | 1192.9664 |
Chemical Identifiers
| CAS Number | 313345-41-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)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-(4-Cyanophenoxy)-1-propynyl]-Adenosine (CAS 313345-41-4), with molecular formula C20H18N6O5 and molecular weight 422.13 g/mol. IUPAC: 4-[3-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]prop-2-ynoxy]benzonitrile.
Chemical Property Profile of 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine
Property Insights of 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine
The XLogP value of -0.67782 indicates that 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.56 Ų indicates high polarity, suggesting 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine has 4 hydrogen bond donor(s) and 10 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-(4-Cyanophenoxy)-1-propynyl]-Adenosine?
The CAS number of 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine is 313345-41-4.
What is the molecular formula of 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine?
The molecular formula of 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine is C20H18N6O5.
What is the molecular weight of 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine?
The molecular weight of 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine is 422.13 g/mol.
Where can I buy 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine?
You can request a quote for 2-[3-(4-Cyanophenoxy)-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-(4-Cyanophenoxy)-1-propynyl]-Adenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Cyanophenoxy)-1-propynyl]-Adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.