RefChem:1091386
TL;DR: RefChem:1091386 (CAS 25517-10-6) is a chemical compound with molecular formula C17H29IN2O and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide iodide
Also Known As: 1-((1-Adamantylcarbamoyl)methyl)-1-methylpyrrolidinium iodide, Pyrrolidinium, 1-((1-adamantylcarbamoyl)methyl)-1-methyl-, iodide, N-(1-adamantyl)-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide iodide, N-(Adamantan-1-yl)-2-(1-methylpyrrolidin-1-ium-1-yl)ethanimidate--hydrogen iodide (1/1), RefChem:1091386
| Molecular Formula | C17H29IN2O |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | -0.68 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.13245 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 25517-10-6 |
|---|---|
| SMILES | C[N+]1(CCCC1)CC(=O)NC23CC4CC(C2)CC(C4)C3.[I-] |
| InChIKey | MJKCLHKBXSUGFY-UHFFFAOYSA-N |
Product Overview
RefChem:1091386 (CAS 25517-10-6), with molecular formula C17H29IN2O and molecular weight 404.13 g/mol. IUPAC: N-(1-adamantyl)-2-(1-methylpyrrolidin-1-ium-1-yl)acetamide iodide.
Chemical Property Profile of RefChem:1091386
Property Insights of RefChem:1091386
The XLogP value of -0.68 indicates that RefChem:1091386 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.1 Ų, RefChem:1091386 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091386 has 1 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 RefChem:1091386?
The CAS number of RefChem:1091386 is 25517-10-6.
What is the molecular formula of RefChem:1091386?
The molecular formula of RefChem:1091386 is C17H29IN2O.
What is the molecular weight of RefChem:1091386?
The molecular weight of RefChem:1091386 is 404.13 g/mol.
Where can I buy RefChem:1091386?
You can request a quote for RefChem:1091386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.