Isoarecolone methiodide
TL;DR: Isoarecolone methiodide (CAS 100752-86-1) is a chemical compound with molecular formula C9H16INO and molecular weight 281.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)ethanone iodide
Also Known As: Isoarecolone methiodide, 4-Acetyl-1,2,3,6-tetrahydro-1,1-dimethylpyridinium iodide, 4-Acetyl-1,1-dimethyl-1,2,3,6-tetrahydropyridin-1-ium iodide, Pyridinium, 4-acetyl-1,2,3,6-tetrahydro-1,1-dimethyl-, iodide, 1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)ethanone iodide
| Molecular Formula | C9H16INO |
|---|---|
| Molecular Weight | 281.03 g/mol |
| LogP | -2.0141 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.02765 |
| Heavy Atoms | 12 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 100752-86-1 |
|---|---|
| SMILES | CC(=O)C1=CC[N+](CC1)(C)C.[I-] |
| InChIKey | LKJAZPPERYANQL-UHFFFAOYSA-M |
Product Overview
Isoarecolone methiodide (CAS 100752-86-1), with molecular formula C9H16INO and molecular weight 281.03 g/mol. IUPAC: 1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)ethanone iodide.
Chemical Property Profile of Isoarecolone methiodide
Property Insights of Isoarecolone methiodide
The XLogP value of -2.0141 indicates that Isoarecolone methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, Isoarecolone methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoarecolone methiodide 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 Isoarecolone methiodide?
The CAS number of Isoarecolone methiodide is 100752-86-1.
What is the molecular formula of Isoarecolone methiodide?
The molecular formula of Isoarecolone methiodide is C9H16INO.
What is the molecular weight of Isoarecolone methiodide?
The molecular weight of Isoarecolone methiodide is 281.03 g/mol.
Where can I buy Isoarecolone methiodide?
You can request a quote for Isoarecolone methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoarecolone methiodide?
Yes, KEHONG BIO provides custom synthesis services for Isoarecolone methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.