![2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine structure](/static/products/313/313348-31-1.png)
2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine
TL;DR: 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine (CAS 313348-31-1) 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-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide
Also Known As: Regadenoson Impurity 2, Regadenoson Impurity N9, J1.806.400F, 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine, 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide
| Molecular Formula | C16H20N8O5 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | -2.0925 |
| Topological Polar Surface Area | 177.67 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.15567 |
| Heavy Atoms | 29 |
| Complexity | 1062.9434 |
Chemical Identifiers
| CAS Number | 313348-31-1 |
|---|---|
| SMILES | CN(C)C(=O)C1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N |
Product Overview
2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine (CAS 313348-31-1), with molecular formula C16H20N8O5 and molecular weight 404.16 g/mol. IUPAC: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]-N,N-dimethylpyrazole-4-carboxamide.
Chemical Property Profile of 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine
Property Insights of 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine
The XLogP value of -2.0925 indicates that 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.67 Ų indicates high polarity, suggesting 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]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-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine?
The CAS number of 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine is 313348-31-1.
What is the molecular formula of 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine?
The molecular formula of 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine is C16H20N8O5.
What is the molecular weight of 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine?
The molecular weight of 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine is 404.16 g/mol.
Where can I buy 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine?
You can request a quote for 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Dimethylaminocarbonyl)-1H-pyrazole-1-yl]adenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.