Ascorbyl nicotinate
TL;DR: Ascorbyl nicotinate (CAS 81489-64-7) is a chemical compound with molecular formula C12H11NO7 and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] pyridine-3-carboxylate
Also Known As: Ascorbyl nicotinate, Ascorbyl nicotinate [INCI], L-Ascorbic acid, 3-(3-pyridinecarboxylate), [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] Pyridine-3-carboxylate, (R)-2-((S)-1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl nicotinate
| Molecular Formula | C12H11NO7 |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.05356 |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 81489-64-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OC2=C(C(=O)O[C@@H]2[C@H](CO)O)O |
| InChIKey | ZSKHEZJGIUMLQK-IONNQARKSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ascorbyl nicotinate (CAS 81489-64-7), with molecular formula C12H11NO7 and molecular weight 281.05 g/mol. IUPAC: [(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl] pyridine-3-carboxylate.
Chemical Property Profile of Ascorbyl nicotinate
Property Insights of Ascorbyl nicotinate
The XLogP value of -1.1 indicates that Ascorbyl nicotinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ascorbyl nicotinate. Following Lipinski's Rule of Five, Ascorbyl nicotinate has 3 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 Ascorbyl nicotinate?
The CAS number of Ascorbyl nicotinate is 81489-64-7.
What is the molecular formula of Ascorbyl nicotinate?
The molecular formula of Ascorbyl nicotinate is C12H11NO7.
What is the molecular weight of Ascorbyl nicotinate?
The molecular weight of Ascorbyl nicotinate is 281.05 g/mol.
Where can I buy Ascorbyl nicotinate?
You can request a quote for Ascorbyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ascorbyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ascorbyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.