KST-1B1149
TL;DR: KST-1B1149 (CAS 17993-90-7) is a chemical compound with molecular formula C15H15Cl2N3S and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetonitrile
Also Known As: KST-1B1149, {5-[(3,5-dichlorophenyl)sulfanyl]-1-methyl-4-(1-methylethyl)-1h-imidazol-2-yl}acetonitrile, 1H-Imidazole-2-acetonitrile, 5-((3,5-dichlorophenyl)thio)-1-methyl-4-(1-methylethyl)-, 2-(5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)acetonitrile, [5-(3,5-dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl]acetonitrile
| Molecular Formula | C15H15Cl2N3S |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.03638 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 17993-90-7 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CC#N)C)SC2=CC(=CC(=C2)Cl)Cl |
| InChIKey | GIHYVOYTEMGARV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B1149 (CAS 17993-90-7), with molecular formula C15H15Cl2N3S and molecular weight 339.04 g/mol. IUPAC: 2-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]acetonitrile.
Chemical Property Profile of KST-1B1149
Property Insights of KST-1B1149
The XLogP value of 4.5 indicates that KST-1B1149 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B1149. Following Lipinski's Rule of Five, KST-1B1149 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 KST-1B1149?
The CAS number of KST-1B1149 is 17993-90-7.
What is the molecular formula of KST-1B1149?
The molecular formula of KST-1B1149 is C15H15Cl2N3S.
What is the molecular weight of KST-1B1149?
The molecular weight of KST-1B1149 is 339.04 g/mol.
Where can I buy KST-1B1149?
You can request a quote for KST-1B1149 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B1149?
Yes, KEHONG BIO provides custom synthesis services for KST-1B1149 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.