RefChem:286111
TL;DR: RefChem:286111 (CAS 13758-99-1) is a chemical compound with molecular formula C18H32I2N2 and molecular weight 530.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-4-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-4-azoniatricyclo[5.2.2.02,6]undec-8-ene diiodide
Also Known As: 2-(2-Pyrrolidinoethyl)-3a,4,7,7a-tetrahydro-4,7-ethaneisoindoline dimethiodide, 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(2-(1-methylpyrrolidinio)ethyl)-, diiodide, 2-Methyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-2,3,3a,4,7,7a-hexahydro-1H-4,7-ethanoisoindol-2-ium diiodide, RefChem:286111
| Molecular Formula | C18H32I2N2 |
|---|---|
| Molecular Weight | 530.07 g/mol |
| LogP | -3.4766 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 530.0655 |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 13758-99-1 |
|---|---|
| SMILES | C[N+]1(CCCC1)CC[N+]2(CC3C4CCC(C3C2)C=C4)C.[I-].[I-] |
| InChIKey | TYAGQDWJROZSSQ-UHFFFAOYSA-L |
Product Overview
RefChem:286111 (CAS 13758-99-1), with molecular formula C18H32I2N2 and molecular weight 530.07 g/mol. IUPAC: 4-methyl-4-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-4-azoniatricyclo[5.2.2.02,6]undec-8-ene diiodide.
Chemical Property Profile of RefChem:286111
Property Insights of RefChem:286111
The XLogP value of -3.4766 indicates that RefChem:286111 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:286111 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:286111 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:286111?
The CAS number of RefChem:286111 is 13758-99-1.
What is the molecular formula of RefChem:286111?
The molecular formula of RefChem:286111 is C18H32I2N2.
What is the molecular weight of RefChem:286111?
The molecular weight of RefChem:286111 is 530.07 g/mol.
Where can I buy RefChem:286111?
You can request a quote for RefChem:286111 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:286111?
Yes, KEHONG BIO provides custom synthesis services for RefChem:286111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.