Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)
TL;DR: Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) (CAS 4554-30-7) is a chemical compound with molecular formula C9H16INO2 and molecular weight 297.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
Also Known As: Arecoline methiodide, Arecoline iodomethylate, Arecholine methiodide, Arecholine iodomethylate, Iodomethylate arecholine
| Molecular Formula | C9H16INO2 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | -2.43 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.02258 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 4554-30-7 |
|---|---|
| SMILES | C[N+]1(CCC=C(C1)C(=O)OC)C.[I-] |
| InChIKey | WXJOLIZPHGZZKX-UHFFFAOYSA-M |
Product Overview
Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) (CAS 4554-30-7), with molecular formula C9H16INO2 and molecular weight 297.02 g/mol. IUPAC: methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide.
Chemical Property Profile of Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)
Property Insights of Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)
The XLogP value of -2.43 indicates that Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) 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-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) has 0 hydrogen bond donor(s) and 3 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-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)?
The CAS number of Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) is 4554-30-7.
What is the molecular formula of Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)?
The molecular formula of Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) is C9H16INO2.
What is the molecular weight of Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)?
The molecular weight of Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) is 297.02 g/mol.
Where can I buy Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)?
You can request a quote for Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) 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-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1,2,5,6-tetrahydro-3-(methoxycarbonyl)-1,1-dimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.