Nicotine N-glucoronide
TL;DR: Nicotine N-glucoronide (CAS 153536-53-9) is a chemical compound with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trihydroxy-6-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate
Also Known As: Nicotine N-glucoronide, Nicotine N-glucuronide, Nicotine-N-beta-glucuronide, 3,4,5-trihydroxy-6-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate, (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
| Molecular Formula | C16H22N2O6 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | -2.5292 |
| Topological Polar Surface Area | 117.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.1478 |
| Heavy Atoms | 24 |
| Complexity | 611.98535 |
Chemical Identifiers
| CAS Number | 153536-53-9 |
|---|---|
| SMILES | CN1CCCC1C2=C[N+](=CC=C2)C3C(C(C(C(O3)C(=O)[O-])O)O)O |
Product Overview
Nicotine N-glucoronide (CAS 153536-53-9), with molecular formula C16H22N2O6 and molecular weight 338.15 g/mol. IUPAC: 3,4,5-trihydroxy-6-[3-(1-methylpyrrolidin-2-yl)pyridin-1-ium-1-yl]oxane-2-carboxylate.
Chemical Property Profile of Nicotine N-glucoronide
Property Insights of Nicotine N-glucoronide
The XLogP value of -2.5292 indicates that Nicotine N-glucoronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Nicotine N-glucoronide. Following Lipinski's Rule of Five, Nicotine N-glucoronide has 3 hydrogen bond donor(s) and 7 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 Nicotine N-glucoronide?
The CAS number of Nicotine N-glucoronide is 153536-53-9.
What is the molecular formula of Nicotine N-glucoronide?
The molecular formula of Nicotine N-glucoronide is C16H22N2O6.
What is the molecular weight of Nicotine N-glucoronide?
The molecular weight of Nicotine N-glucoronide is 338.15 g/mol.
Where can I buy Nicotine N-glucoronide?
You can request a quote for Nicotine N-glucoronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nicotine N-glucoronide?
Yes, KEHONG BIO provides custom synthesis services for Nicotine N-glucoronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.