KST-1B1146
TL;DR: KST-1B1146 (CAS 17988-50-0) is a chemical compound with molecular formula C20H19Cl2N3O3S and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,5-dichlorophenyl)sulfanyl-1-[(2-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]methanol
Also Known As: KST-1B1146, 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((2-nitrophenyl)methyl)-, {5-[(3,5-dichlorophenyl)sulfanyl]-4-(1-methylethyl)-1-(2-nitrobenzyl)-1h-imidazol-2-yl}methanol, 5-(3,5-dichlorophenylthio)-2-hydroxymethyl-4-isopropyl-1-(o-nitrobenzyl)-1H-imidazole, [5-(3,5-dichlorophenyl)sulfanyl-1-[(2-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]methanol
| Molecular Formula | C20H19Cl2N3O3S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.05243 |
| Heavy Atoms | 29 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 17988-50-0 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CO)CC2=CC=CC=C2[N+](=O)[O-])SC3=CC(=CC(=C3)Cl)Cl |
| InChIKey | RCWRXNRCVRXRBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B1146 (CAS 17988-50-0), with molecular formula C20H19Cl2N3O3S and molecular weight 451.05 g/mol. IUPAC: [5-(3,5-dichlorophenyl)sulfanyl-1-[(2-nitrophenyl)methyl]-4-propan-2-ylimidazol-2-yl]methanol.
Chemical Property Profile of KST-1B1146
Property Insights of KST-1B1146
The XLogP value of 5.4 indicates that KST-1B1146 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B1146. Following Lipinski's Rule of Five, KST-1B1146 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B1146?
The CAS number of KST-1B1146 is 17988-50-0.
What is the molecular formula of KST-1B1146?
The molecular formula of KST-1B1146 is C20H19Cl2N3O3S.
What is the molecular weight of KST-1B1146?
The molecular weight of KST-1B1146 is 451.05 g/mol.
Where can I buy KST-1B1146?
You can request a quote for KST-1B1146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B1146?
Yes, KEHONG BIO provides custom synthesis services for KST-1B1146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.