Regadenoson Impurity 43
TL;DR: Regadenoson Impurity 43 (CAS 313348-35-5) is a chemical compound with molecular formula C14H16N8O5 and molecular weight 376.12 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]pyrazole-4-carboxamide
Also Known As: Regadenoson Impurity 43, 1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid amide, 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide, 1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl }pyrazole-4-carboxamide, 1-{9-(4S,2R,3R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl-6-aminopurin-2-yl }pyrazole-4-carboxamide
| Molecular Formula | C14H16N8O5 |
|---|---|
| Molecular Weight | 376.12 g/mol |
| LogP | -2.6954 |
| Topological Polar Surface Area | 200.45 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.12436 |
| Heavy Atoms | 27 |
| Complexity | 1016.2742 |
Chemical Identifiers
| CAS Number | 313348-35-5 |
|---|---|
| SMILES | C1=C(C=NN1C2=NC(=C3C(=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)C(=O)N |
Product Overview
Regadenoson Impurity 43 (CAS 313348-35-5), with molecular formula C14H16N8O5 and molecular weight 376.12 g/mol. IUPAC: 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxamide.
Chemical Property Profile of Regadenoson Impurity 43
Property Insights of Regadenoson Impurity 43
The XLogP value of -2.6954 indicates that Regadenoson Impurity 43 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.45 Ų indicates high polarity, suggesting Regadenoson Impurity 43 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Regadenoson Impurity 43 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 43?
The CAS number of Regadenoson Impurity 43 is 313348-35-5.
What is the molecular formula of Regadenoson Impurity 43?
The molecular formula of Regadenoson Impurity 43 is C14H16N8O5.
What is the molecular weight of Regadenoson Impurity 43?
The molecular weight of Regadenoson Impurity 43 is 376.12 g/mol.
Where can I buy Regadenoson Impurity 43?
You can request a quote for Regadenoson Impurity 43 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Regadenoson Impurity 43?
Yes, KEHONG BIO provides custom synthesis services for Regadenoson Impurity 43 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.