N-Methyl-S-1249
TL;DR: N-Methyl-S-1249 (CAS 78289-20-0) is a chemical compound with molecular formula C17H27IN2O2 and molecular weight 418.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-carboxamide iodide
Also Known As: N-Methyl-S-1249, N-(quaternary-2-Hydroxyethyl-N-methyl)pipecolinyl-2,6-dimethylanilide iodide, Piperidinium, 2-(((2,6-dimethylphenyl)amino)carbonyl)-1-(2-hydroxyethyl)-1-methyl-, iodide, (+-)-, N-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-carboxamide iodide, N-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-carboxamide,iodide
| Molecular Formula | C17H27IN2O2 |
|---|---|
| Molecular Weight | 418.11 g/mol |
| LogP | -0.76266 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.11172 |
| Heavy Atoms | 22 |
| Complexity | 497.13043 |
Chemical Identifiers
| CAS Number | 78289-20-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2CCCC[N+]2(C)CCO.[I-] |
Product Overview
N-Methyl-S-1249 (CAS 78289-20-0), with molecular formula C17H27IN2O2 and molecular weight 418.11 g/mol. IUPAC: N-(2,6-dimethylphenyl)-1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-carboxamide iodide.
Chemical Property Profile of N-Methyl-S-1249
Property Insights of N-Methyl-S-1249
The XLogP value of -0.76266 indicates that N-Methyl-S-1249 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.33 Ų, N-Methyl-S-1249 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-S-1249 has 2 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 N-Methyl-S-1249?
The CAS number of N-Methyl-S-1249 is 78289-20-0.
What is the molecular formula of N-Methyl-S-1249?
The molecular formula of N-Methyl-S-1249 is C17H27IN2O2.
What is the molecular weight of N-Methyl-S-1249?
The molecular weight of N-Methyl-S-1249 is 418.11 g/mol.
Where can I buy N-Methyl-S-1249?
You can request a quote for N-Methyl-S-1249 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-S-1249?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-S-1249 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.