Regadenoson Impurity 16
TL;DR: Regadenoson Impurity 16 (CAS 765299-55-6) is a chemical compound with molecular formula C16H20N8O5 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)purin-2-yl]-N-methylpyrazole-4-carboxamide
Also Known As: Regadenoson Impurity 16, Regadenoson Impurity 22, Regadenoson Impurity 30, N6-Methyl derivative Adenosine, 1-(9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-(methylamino)-9H-purin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
| Molecular Formula | C16H20N8O5 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | -1.9752 |
| Topological Polar Surface Area | 172.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.15567 |
| Heavy Atoms | 29 |
| Complexity | 1049.2863 |
Chemical Identifiers
| CAS Number | 765299-55-6 |
|---|---|
| SMILES | CNC1=C2C(=NC(=N1)N3C=C(C=N3)C(=O)NC)N(C=N2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O |
Product Overview
Regadenoson Impurity 16 (CAS 765299-55-6), with molecular formula C16H20N8O5 and molecular weight 404.16 g/mol. IUPAC: 1-[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)purin-2-yl]-N-methylpyrazole-4-carboxamide.
Chemical Property Profile of Regadenoson Impurity 16
Property Insights of Regadenoson Impurity 16
The XLogP value of -1.9752 indicates that Regadenoson Impurity 16 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.47 Ų indicates high polarity, suggesting Regadenoson Impurity 16 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Regadenoson Impurity 16 has 5 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 Regadenoson Impurity 16?
The CAS number of Regadenoson Impurity 16 is 765299-55-6.
What is the molecular formula of Regadenoson Impurity 16?
The molecular formula of Regadenoson Impurity 16 is C16H20N8O5.
What is the molecular weight of Regadenoson Impurity 16?
The molecular weight of Regadenoson Impurity 16 is 404.16 g/mol.
Where can I buy Regadenoson Impurity 16?
You can request a quote for Regadenoson Impurity 16 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Regadenoson Impurity 16?
Yes, KEHONG BIO provides custom synthesis services for Regadenoson Impurity 16 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.