Nicotinyl tartrate
TL;DR: Nicotinyl tartrate (CAS 5454-90-0) is a chemical compound with molecular formula C10H13NO7 and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxybutanedioic acid;pyridin-3-ylmethanol
Also Known As: Danaden, Nicotinyl tartrate, Radecol, Ronicol, Niacol
| Molecular Formula | C10H13NO7 |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | -1.5487 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.0692 |
| Heavy Atoms | 18 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 5454-90-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)CO.C(C(C(=O)O)O)(C(=O)O)O |
| InChIKey | NPORIZAYKBQYLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nicotinyl tartrate (CAS 5454-90-0), with molecular formula C10H13NO7 and molecular weight 259.07 g/mol. IUPAC: 2,3-dihydroxybutanedioic acid;pyridin-3-ylmethanol.
Chemical Property Profile of Nicotinyl tartrate
Property Insights of Nicotinyl tartrate
The XLogP value of -1.5487 indicates that Nicotinyl tartrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 148.0 Ų indicates high polarity, suggesting Nicotinyl tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nicotinyl tartrate 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 Nicotinyl tartrate?
The CAS number of Nicotinyl tartrate is 5454-90-0.
What is the molecular formula of Nicotinyl tartrate?
The molecular formula of Nicotinyl tartrate is C10H13NO7.
What is the molecular weight of Nicotinyl tartrate?
The molecular weight of Nicotinyl tartrate is 259.07 g/mol.
Where can I buy Nicotinyl tartrate?
You can request a quote for Nicotinyl tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotinyl tartrate?
Yes, KEHONG BIO provides custom synthesis services for Nicotinyl tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.