RefChem:1091389
TL;DR: RefChem:1091389 (CAS 25517-20-8) is a chemical compound with molecular formula C18H31IN2O and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-adamantyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanamide iodide
Also Known As: 1-(2-(1-Adamantylcarbamoyl)ethyl)-1-methylpyrrolidinium iodide, Pyrrolidinium, 1-(2-(1-adamantylcarbamoyl)ethyl)-1-methyl-, iodide, N-(1-adamantyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanamide iodide, N-(Adamantan-1-yl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanimidate--hydrogen iodide (1/1), RefChem:1091389
| Molecular Formula | C18H31IN2O |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | -0.29 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.1481 |
| Heavy Atoms | 22 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 25517-20-8 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCC(=O)NC23CC4CC(C2)CC(C4)C3.[I-] |
| InChIKey | GMILMYSQLZVNBG-UHFFFAOYSA-N |
Product Overview
RefChem:1091389 (CAS 25517-20-8), with molecular formula C18H31IN2O and molecular weight 418.15 g/mol. IUPAC: N-(1-adamantyl)-3-(1-methylpyrrolidin-1-ium-1-yl)propanamide iodide.
Chemical Property Profile of RefChem:1091389
Property Insights of RefChem:1091389
The XLogP value of -0.29 indicates that RefChem:1091389 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:1091389 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1091389 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:1091389?
The CAS number of RefChem:1091389 is 25517-20-8.
What is the molecular formula of RefChem:1091389?
The molecular formula of RefChem:1091389 is C18H31IN2O.
What is the molecular weight of RefChem:1091389?
The molecular weight of RefChem:1091389 is 418.15 g/mol.
Where can I buy RefChem:1091389?
You can request a quote for RefChem:1091389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091389?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.