RefChem:1091052
TL;DR: RefChem:1091052 (CAS 77587-88-3) is a chemical compound with molecular formula C19H22IN5O and molecular weight 463.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl-imidazolidin-2-ylidene-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]azanium iodide
Also Known As: 2-(N-(2-Imidazolin-2-yl)-N-(2-(2-pyridyl)-3-indolylmethyl)amino)ethanol hydriodide, Ethanol, 2-(N-(2-imidazolin-2-yl)-N-(2-(2-pyridyl)-3-indolylmethyl)amino)-, hydriodide, 2-hydroxyethyl-imidazolidin-2-ylidene-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]azanium iodide, N-(2-Hydroxyethyl)-N-((2-(pyridin-2-yl)-1H-indol-3-yl)methyl)imidazolidin-2-iminium iodide, N-(2-Hydroxyethyl)-N-{[2-(pyridin-2-yl)-1H-indol-3-yl]methyl}imidazolidin-2-iminium iodide
| Molecular Formula | C19H22IN5O |
|---|---|
| Molecular Weight | 463.09 g/mol |
| LogP | -1.71 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.0869 |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 77587-88-3 |
|---|---|
| SMILES | C1CNC(=[N+](CCO)CC2=C(NC3=CC=CC=C32)C4=CC=CC=N4)N1.[I-] |
| InChIKey | KIYVQVODNHTUNR-UHFFFAOYSA-N |
Product Overview
RefChem:1091052 (CAS 77587-88-3), with molecular formula C19H22IN5O and molecular weight 463.09 g/mol. IUPAC: 2-hydroxyethyl-imidazolidin-2-ylidene-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]azanium iodide.
Chemical Property Profile of RefChem:1091052
Property Insights of RefChem:1091052
The XLogP value of -1.71 indicates that RefChem:1091052 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1091052. Following Lipinski's Rule of Five, RefChem:1091052 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:1091052?
The CAS number of RefChem:1091052 is 77587-88-3.
What is the molecular formula of RefChem:1091052?
The molecular formula of RefChem:1091052 is C19H22IN5O.
What is the molecular weight of RefChem:1091052?
The molecular weight of RefChem:1091052 is 463.09 g/mol.
Where can I buy RefChem:1091052?
You can request a quote for RefChem:1091052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1091052?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1091052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.