Capadenoson
TL;DR: Capadenoson (CAS 544417-40-5) is a chemical compound with molecular formula C25H18ClN5O2S2 and molecular weight 519.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
Also Known As: Capadenoson, capadenosonum, Capadenoson [INN], Capadenoson?, BAY 68-4986
| Molecular Formula | C25H18ClN5O2S2 |
|---|---|
| Molecular Weight | 519.06 g/mol |
| LogP | 5.51446 |
| Topological Polar Surface Area | 128.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.059 |
| Heavy Atoms | 35 |
| Complexity | 1424.7257 |
Chemical Identifiers
| CAS Number | 544417-40-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N)C#N)OCCO |
Product Overview
Capadenoson (CAS 544417-40-5), with molecular formula C25H18ClN5O2S2 and molecular weight 519.06 g/mol. IUPAC: 2-amino-6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile.
Chemical Property Profile of Capadenoson
Property Insights of Capadenoson
The XLogP value of 5.51446 indicates that Capadenoson is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Capadenoson. Following Lipinski's Rule of Five, Capadenoson has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Capadenoson?
The CAS number of Capadenoson is 544417-40-5.
What is the molecular formula of Capadenoson?
The molecular formula of Capadenoson is C25H18ClN5O2S2.
What is the molecular weight of Capadenoson?
The molecular weight of Capadenoson is 519.06 g/mol.
Where can I buy Capadenoson?
You can request a quote for Capadenoson directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Capadenoson?
Yes, KEHONG BIO provides custom synthesis services for Capadenoson and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.