Isoarecoline methiodide
TL;DR: Isoarecoline methiodide (CAS 52632-31-2) 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-4-carboxylate iodide
Also Known As: Isoarecoline methiodide, 4-(methoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridinium iodide, Pyridinium, 1,2,3,6-tetrahydro-4-(methoxycarbonyl)-1,1-dimethyl-, iodide, 4-(Methoxycarbonyl)-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide, methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-carboxylate iodide
| Molecular Formula | C9H16INO2 |
|---|---|
| Molecular Weight | 297.02 g/mol |
| LogP | -2.4301 |
| 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 | 52632-31-2 |
|---|---|
| SMILES | C[N+]1(CCC(=CC1)C(=O)OC)C.[I-] |
| InChIKey | QZESFHFVKXPYHG-UHFFFAOYSA-M |
Product Overview
Isoarecoline methiodide (CAS 52632-31-2), with molecular formula C9H16INO2 and molecular weight 297.02 g/mol. IUPAC: methyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-carboxylate iodide.
Chemical Property Profile of Isoarecoline methiodide
Property Insights of Isoarecoline methiodide
The XLogP value of -2.4301 indicates that Isoarecoline methiodide 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, Isoarecoline methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoarecoline methiodide 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 Isoarecoline methiodide?
The CAS number of Isoarecoline methiodide is 52632-31-2.
What is the molecular formula of Isoarecoline methiodide?
The molecular formula of Isoarecoline methiodide is C9H16INO2.
What is the molecular weight of Isoarecoline methiodide?
The molecular weight of Isoarecoline methiodide is 297.02 g/mol.
Where can I buy Isoarecoline methiodide?
You can request a quote for Isoarecoline methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoarecoline methiodide?
Yes, KEHONG BIO provides custom synthesis services for Isoarecoline methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.