Regadenoson Impurity 6
TL;DR: Regadenoson Impurity 6 (CAS 313348-16-2) is a chemical compound with molecular formula C16H19N7O6 and molecular weight 405.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate
Also Known As: Regadenoson Impurity 6, Regadenoson Impurity 11, CVT 3127, CVT 3127; Regadenoson Impurity, Ethyl 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate
| Molecular Formula | C16H19N7O6 |
|---|---|
| Molecular Weight | 405.14 g/mol |
| LogP | -1.6176 |
| Topological Polar Surface Area | 183.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.13968 |
| Heavy Atoms | 29 |
| Complexity | 1049.7346 |
Chemical Identifiers
| CAS Number | 313348-16-2 |
|---|---|
| SMILES | CCOC(=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
Regadenoson Impurity 6 (CAS 313348-16-2), with molecular formula C16H19N7O6 and molecular weight 405.14 g/mol. IUPAC: ethyl 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate.
Chemical Property Profile of Regadenoson Impurity 6
Property Insights of Regadenoson Impurity 6
The XLogP value of -1.6176 indicates that Regadenoson Impurity 6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.66 Ų indicates high polarity, suggesting Regadenoson Impurity 6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Regadenoson Impurity 6 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Regadenoson Impurity 6?
The CAS number of Regadenoson Impurity 6 is 313348-16-2.
What is the molecular formula of Regadenoson Impurity 6?
The molecular formula of Regadenoson Impurity 6 is C16H19N7O6.
What is the molecular weight of Regadenoson Impurity 6?
The molecular weight of Regadenoson Impurity 6 is 405.14 g/mol.
Where can I buy Regadenoson Impurity 6?
You can request a quote for Regadenoson Impurity 6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Regadenoson Impurity 6?
Yes, KEHONG BIO provides custom synthesis services for Regadenoson Impurity 6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.