KST-1B1148
TL;DR: KST-1B1148 (CAS 17989-77-4) is a chemical compound with molecular formula C20H21Cl2N3OS and molecular weight 421.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]methanol
Also Known As: KST-1B1148, 4-Amino-6-chloro-pyrazolo[3,4-d]pyrimidine, {5-[(3,5-dichlorophenyl)sulfanyl]-4-(1-methylethyl)-1-(2-pyridin-2-ylethyl)-1h-imidazol-2-yl}methanol, 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(2-(2-pyridinyl)ethyl)-, (5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(2-(pyridin-2-yl)ethyl)-1H-imidazol-2-yl)methanol
| Molecular Formula | C20H21Cl2N3OS |
|---|---|
| Molecular Weight | 421.08 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.07825 |
| Heavy Atoms | 27 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 17989-77-4 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)CO)CCC2=CC=CC=N2)SC3=CC(=CC(=C3)Cl)Cl |
| InChIKey | HPXQDQOKPOGHOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B1148 (CAS 17989-77-4), with molecular formula C20H21Cl2N3OS and molecular weight 421.08 g/mol. IUPAC: [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(2-pyridin-2-ylethyl)imidazol-2-yl]methanol.
Chemical Property Profile of KST-1B1148
Property Insights of KST-1B1148
The XLogP value of 4.8 indicates that KST-1B1148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B1148. Following Lipinski's Rule of Five, KST-1B1148 has 1 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 KST-1B1148?
The CAS number of KST-1B1148 is 17989-77-4.
What is the molecular formula of KST-1B1148?
The molecular formula of KST-1B1148 is C20H21Cl2N3OS.
What is the molecular weight of KST-1B1148?
The molecular weight of KST-1B1148 is 421.08 g/mol.
Where can I buy KST-1B1148?
You can request a quote for KST-1B1148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B1148?
Yes, KEHONG BIO provides custom synthesis services for KST-1B1148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.