Adenosine, 5'-(3-pyridinecarboxylate)
TL;DR: Adenosine, 5'-(3-pyridinecarboxylate) (CAS 17331-53-2) is a chemical compound with molecular formula C16H16N6O5 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyridine-3-carboxylate
Also Known As: Amn trihydrate, Adenosine, 5'-nicotinate, Adenosine-5'-nicotinate, Adenosine 5'-mononicotinate, Adenosine-5'-mononicotinate
| Molecular Formula | C16H16N6O5 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.11823 |
| Heavy Atoms | 27 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 17331-53-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O |
| InChIKey | VGCXTXVOZXMMDR-UHFFFAOYSA-N |
Product Overview
Adenosine, 5'-(3-pyridinecarboxylate) (CAS 17331-53-2), with molecular formula C16H16N6O5 and molecular weight 372.12 g/mol. IUPAC: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyridine-3-carboxylate.
Chemical Property Profile of Adenosine, 5'-(3-pyridinecarboxylate)
Property Insights of Adenosine, 5'-(3-pyridinecarboxylate)
The XLogP value of -0.4 indicates that Adenosine, 5'-(3-pyridinecarboxylate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Adenosine, 5'-(3-pyridinecarboxylate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adenosine, 5'-(3-pyridinecarboxylate) has 3 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 Adenosine, 5'-(3-pyridinecarboxylate)?
The CAS number of Adenosine, 5'-(3-pyridinecarboxylate) is 17331-53-2.
What is the molecular formula of Adenosine, 5'-(3-pyridinecarboxylate)?
The molecular formula of Adenosine, 5'-(3-pyridinecarboxylate) is C16H16N6O5.
What is the molecular weight of Adenosine, 5'-(3-pyridinecarboxylate)?
The molecular weight of Adenosine, 5'-(3-pyridinecarboxylate) is 372.12 g/mol.
Where can I buy Adenosine, 5'-(3-pyridinecarboxylate)?
You can request a quote for Adenosine, 5'-(3-pyridinecarboxylate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adenosine, 5'-(3-pyridinecarboxylate)?
Yes, KEHONG BIO provides custom synthesis services for Adenosine, 5'-(3-pyridinecarboxylate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.