Adenosine-5'-(N-ethyl)carboxamide N'-oxide
TL;DR: Adenosine-5'-(N-ethyl)carboxamide N'-oxide (CAS 72209-27-9) is a chemical compound with molecular formula C12H16N6O5 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(1-hydroxy-6-iminopurin-9-yl)oxolane-2-carboxamide
Also Known As: Adenosine-5'-(N-ethyl)carboxamide N'-oxide, 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethylribofuranuronamide N-oxide, Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl-, N-oxide, (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(1-hydroxy-6-iminopurin-9-yl)oxolane-2-carboxamide, 9-(5-Ethylamino-5-oxo-5-deoxy-beta-D-ribofuranosyl)-6-amino-1-oxylato-9H-purin-1-ium
| Molecular Formula | C12H16N6O5 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | -2.29513 |
| Topological Polar Surface Area | 158.51 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.11823 |
| Heavy Atoms | 23 |
| Complexity | 800.82544 |
Chemical Identifiers
| CAS Number | 72209-27-9 |
|---|---|
| SMILES | CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN(C3=N)O)O)O |
Product Overview
Adenosine-5'-(N-ethyl)carboxamide N'-oxide (CAS 72209-27-9), with molecular formula C12H16N6O5 and molecular weight 324.12 g/mol. IUPAC: (2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(1-hydroxy-6-iminopurin-9-yl)oxolane-2-carboxamide.
Chemical Property Profile of Adenosine-5'-(N-ethyl)carboxamide N'-oxide
Property Insights of Adenosine-5'-(N-ethyl)carboxamide N'-oxide
The XLogP value of -2.29513 indicates that Adenosine-5'-(N-ethyl)carboxamide N'-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.51 Ų indicates high polarity, suggesting Adenosine-5'-(N-ethyl)carboxamide N'-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine-5'-(N-ethyl)carboxamide N'-oxide has 5 hydrogen bond donor(s) and 8 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 Adenosine-5'-(N-ethyl)carboxamide N'-oxide?
The CAS number of Adenosine-5'-(N-ethyl)carboxamide N'-oxide is 72209-27-9.
What is the molecular formula of Adenosine-5'-(N-ethyl)carboxamide N'-oxide?
The molecular formula of Adenosine-5'-(N-ethyl)carboxamide N'-oxide is C12H16N6O5.
What is the molecular weight of Adenosine-5'-(N-ethyl)carboxamide N'-oxide?
The molecular weight of Adenosine-5'-(N-ethyl)carboxamide N'-oxide is 324.12 g/mol.
Where can I buy Adenosine-5'-(N-ethyl)carboxamide N'-oxide?
You can request a quote for Adenosine-5'-(N-ethyl)carboxamide N'-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine-5'-(N-ethyl)carboxamide N'-oxide?
Yes, KEHONG BIO provides custom synthesis services for Adenosine-5'-(N-ethyl)carboxamide N'-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.