KST-1B1078
TL;DR: KST-1B1078 (CAS 17901-23-4) is a chemical compound with molecular formula C16H22N2OS and molecular weight 290.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Also Known As: KST-1B1078, 2,4-difluoro-3-methoxylbenzoic acid, 1H-Imidazole-2-methanol, 5-((3,5-dimethylphenyl)thio)-1-methyl-4-(1-methylethyl)-, {5-[(3,5-dimethylphenyl)sulfanyl]-1-methyl-4-(1-methylethyl)-1h-imidazol-2-yl}methanol, [5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
| Molecular Formula | C16H22N2OS |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.1453 |
| Heavy Atoms | 20 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 17901-23-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)SC2=C(N=C(N2C)CO)C(C)C)C |
| InChIKey | RCBNCBBXPCGGJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B1078 (CAS 17901-23-4), with molecular formula C16H22N2OS and molecular weight 290.15 g/mol. IUPAC: [5-(3,5-dimethylphenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol.
Chemical Property Profile of KST-1B1078
Property Insights of KST-1B1078
The XLogP value of 3.5 indicates that KST-1B1078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B1078. Following Lipinski's Rule of Five, KST-1B1078 has 1 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-1B1078?
The CAS number of KST-1B1078 is 17901-23-4.
What is the molecular formula of KST-1B1078?
The molecular formula of KST-1B1078 is C16H22N2OS.
What is the molecular weight of KST-1B1078?
The molecular weight of KST-1B1078 is 290.15 g/mol.
Where can I buy KST-1B1078?
You can request a quote for KST-1B1078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B1078?
Yes, KEHONG BIO provides custom synthesis services for KST-1B1078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.