RefChem:340918
TL;DR: RefChem:340918 (CAS 77587-84-9) is a chemical compound with molecular formula C21H25IN4O2 and molecular weight 492.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl-imidazolidin-2-ylidene-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium iodide
Also Known As: 2-phenyl-1,3-benzodithian-4-thione, 2-(N-(2-Imidazolin-2-yl)-N-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)ethanol hydriodide, Ethanol, 2-(N-(2-imidazolin-2-yl)-N-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)-, hydriodide, 2-hydroxyethyl-imidazolidin-2-ylidene-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium iodide, 2-hydroxyethyl-imidazolidin-2-ylidene-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium,iodide
| Molecular Formula | C21H25IN4O2 |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.10223 |
| Heavy Atoms | 28 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 77587-84-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C[N+](=C4NCCN4)CCO.[I-] |
| InChIKey | DINNZESQGYFIQF-UHFFFAOYSA-N |
Product Overview
RefChem:340918 (CAS 77587-84-9), with molecular formula C21H25IN4O2 and molecular weight 492.10 g/mol. IUPAC: 2-hydroxyethyl-imidazolidin-2-ylidene-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]azanium iodide.
Chemical Property Profile of RefChem:340918
Property Insights of RefChem:340918
The XLogP value of -1.1 indicates that RefChem:340918 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340918. Following Lipinski's Rule of Five, RefChem:340918 has 4 hydrogen bond donor(s) and 3 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:340918?
The CAS number of RefChem:340918 is 77587-84-9.
What is the molecular formula of RefChem:340918?
The molecular formula of RefChem:340918 is C21H25IN4O2.
What is the molecular weight of RefChem:340918?
The molecular weight of RefChem:340918 is 492.10 g/mol.
Where can I buy RefChem:340918?
You can request a quote for RefChem:340918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340918?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.