Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide
TL;DR: Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide (CAS 146275-15-2) is a chemical compound with molecular formula C16H18N2O6 and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
Also Known As: Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide, Cotinine N-(4-Deoxy-4,5-didehydro)- -D-glucuronide, 3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate
| Molecular Formula | C16H18N2O6 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | -1.8482 |
| Topological Polar Surface Area | 114.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.1165 |
| Heavy Atoms | 24 |
| Complexity | 703.563 |
Chemical Identifiers
| CAS Number | 146275-15-2 |
|---|---|
| SMILES | CN1C(CCC1=O)C2=C[N+](=CC=C2)C3C(C(C=C(O3)C(=O)[O-])O)O |
Product Overview
Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide (CAS 146275-15-2), with molecular formula C16H18N2O6 and molecular weight 334.12 g/mol. IUPAC: 3,4-dihydroxy-2-[3-(1-methyl-5-oxopyrrolidin-2-yl)pyridin-1-ium-1-yl]-3,4-dihydro-2H-pyran-6-carboxylate.
Chemical Property Profile of Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide
Property Insights of Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide
The XLogP value of -1.8482 indicates that Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.01 Ų falls within the moderate polarity range, balancing permeability and solubility for Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide. Following Lipinski's Rule of Five, Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide has 2 hydrogen bond donor(s) and 6 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-(4-deoxy-4,5-didehydro)-b-D-glucuronide?
The CAS number of Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide is 146275-15-2.
What is the molecular formula of Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide?
The molecular formula of Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide is C16H18N2O6.
What is the molecular weight of Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide?
The molecular weight of Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide is 334.12 g/mol.
Where can I buy Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide?
You can request a quote for Cotinine N-(4-deoxy-4,5-didehydro)-b-D-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-(4-deoxy-4,5-didehydro)-b-D-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Cotinine N-(4-deoxy-4,5-didehydro)-b-D-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.