Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester
TL;DR: Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester (CAS 97976-52-8) is a chemical compound with molecular formula C15H20INO2 and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
Also Known As: 1-Methyl-3-carbobenzoxy-1,2,5,6-tetrahydropyridinium iodide, Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester, benzyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide, 5-[(Benzyloxy)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide, RefChem:376961
| Molecular Formula | C15H20INO2 |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | -0.8597 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.0539 |
| Heavy Atoms | 19 |
| Complexity | 454.4732 |
Chemical Identifiers
| CAS Number | 97976-52-8 |
|---|---|
| SMILES | C[N+]1(CCC=C(C1)C(=O)OCC2=CC=CC=C2)C.[I-] |
Product Overview
Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester (CAS 97976-52-8), with molecular formula C15H20INO2 and molecular weight 373.05 g/mol. IUPAC: benzyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide.
Chemical Property Profile of Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester
Property Insights of Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester
The XLogP value of -0.8597 indicates that Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester has 0 hydrogen bond donor(s) and 2 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 Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester?
The CAS number of Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester is 97976-52-8.
What is the molecular formula of Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester?
The molecular formula of Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester is C15H20INO2.
What is the molecular weight of Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester?
The molecular weight of Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester is 373.05 g/mol.
Where can I buy Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester?
You can request a quote for Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1,2,5,6-tetrahydro-3-carboxy-1,1-dimethyl-, iodide, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.