Cotinine N-glucuronide
TL;DR: Cotinine N-glucuronide (CAS 139427-57-9) is a chemical compound with molecular formula C16H20N2O7 and molecular weight 352.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate
Also Known As: Cotinine N-glucuronide, Cotinine-N-glucuronide, Cotinine N-beta-D-Glucuronide, Cotinine N-b-D-Glucuronide, COTININE-N-ALPHA-D-GLUCURONIDE
| Molecular Formula | C16H20N2O7 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.12704 |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 139427-57-9 |
|---|---|
| SMILES | CN1[C@@H](CCC1=O)C2=C[N+](=CC=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O |
| InChIKey | XWZCZWKUGIQPJD-LKUTUIMVSA-N |
Product Overview
Cotinine N-glucuronide (CAS 139427-57-9), with molecular formula C16H20N2O7 and molecular weight 352.13 g/mol. IUPAC: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[3-[(2S)-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate.
Chemical Property Profile of Cotinine N-glucuronide
Property Insights of Cotinine N-glucuronide
The XLogP value of -1.0 indicates that Cotinine N-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cotinine N-glucuronide. Following Lipinski's Rule of Five, Cotinine N-glucuronide 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 Cotinine N-glucuronide?
The CAS number of Cotinine N-glucuronide is 139427-57-9.
What is the molecular formula of Cotinine N-glucuronide?
The molecular formula of Cotinine N-glucuronide is C16H20N2O7.
What is the molecular weight of Cotinine N-glucuronide?
The molecular weight of Cotinine N-glucuronide is 352.13 g/mol.
Where can I buy Cotinine N-glucuronide?
You can request a quote for Cotinine N-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cotinine N-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Cotinine N-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.