5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde
TL;DR: 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde (CAS 179-01-1) is a chemical compound with molecular formula C14H14Cl2N2OS and molecular weight 328.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole-2-carbaldehyde
Also Known As: 2,4-difluoro-3-methoxylbenzoic acid, 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde, 5-[(3,5-dichlorophenyl)sulfanyl]-1-methyl-4-(1-methylethyl)-1h-imidazole-2-carbaldehyde, 5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde, 5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole-2-carbaldehyde
| Molecular Formula | C14H14Cl2N2OS |
|---|---|
| Molecular Weight | 328.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0204 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 179-01-1 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)C=O)C)SC2=CC(=CC(=C2)Cl)Cl |
| InChIKey | OPOAUTYJCDFWIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde (CAS 179-01-1), with molecular formula C14H14Cl2N2OS and molecular weight 328.02 g/mol. IUPAC: 5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazole-2-carbaldehyde.
Chemical Property Profile of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde
Property Insights of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde
The XLogP value of 4.6 indicates that 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde. Following Lipinski's Rule of Five, 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde has 0 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 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde?
The CAS number of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde is 179-01-1.
What is the molecular formula of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde?
The molecular formula of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde is C14H14Cl2N2OS.
What is the molecular weight of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde?
The molecular weight of 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde is 328.02 g/mol.
Where can I buy 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde?
You can request a quote for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.