Imidazole deriv.
TL;DR: Imidazole deriv. (CAS 122454-61-9) is a chemical compound with molecular formula C19H19N3OS and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethylsulfinylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Also Known As: Imidazole deriv., 5h-pyrrolo[1,2-a]imidazole,2-[4-(ethylsulfinyl)phenyl]-6,7-dihydro-3-(4-pyridinyl)-, 2-(4-Ethylsulfinylphenyl)-3-(4'-pyridyl)-6,7-dihydro-[5H]-pyrrolo[1,2-a]imidazole, 2-(4-ethylsulfinylphenyl)-3-(4-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, 2-(4-ethylsulfinylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
| Molecular Formula | C19H19N3OS |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.12488 |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 122454-61-9 |
|---|---|
| SMILES | CCS(=O)C1=CC=C(C=C1)C2=C(N3CCCC3=N2)C4=CC=NC=C4 |
| InChIKey | GJURVSNUAPDFHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole deriv. (CAS 122454-61-9), with molecular formula C19H19N3OS and molecular weight 337.12 g/mol. IUPAC: 2-(4-ethylsulfinylphenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
Chemical Property Profile of Imidazole deriv.
Property Insights of Imidazole deriv.
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole deriv.. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole deriv.. Following Lipinski's Rule of Five, Imidazole deriv. has 0 hydrogen bond donor(s) and 4 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 Imidazole deriv.?
The CAS number of Imidazole deriv. is 122454-61-9.
What is the molecular formula of Imidazole deriv.?
The molecular formula of Imidazole deriv. is C19H19N3OS.
What is the molecular weight of Imidazole deriv.?
The molecular weight of Imidazole deriv. is 337.12 g/mol.
Where can I buy Imidazole deriv.?
You can request a quote for Imidazole deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole deriv.?
Yes, KEHONG BIO provides custom synthesis services for Imidazole deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.