KST-1B1123
TL;DR: KST-1B1123 (CAS 179556-34-4) is a chemical compound with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3,5-dimethylphenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol
Also Known As: KST-1B1123, {5-[(3,5-dimethylphenyl)sulfinyl]-1-methyl-4-(1-methylethyl)-1h-imidazol-2-yl}methanol, 1H-Imidazole-2-methanol, 5-((3,5-dimethylphenyl)sulfinyl)-1-methyl-4-(1-methylethyl)-, [5-(3,5-dimethylphenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol, (5-((3,5-Dimethylphenyl)sulfinyl)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol
| Molecular Formula | C16H22N2O2S |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.1402 |
| Heavy Atoms | 21 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 179556-34-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)S(=O)C2=C(N=C(N2C)CO)C(C)C)C |
| InChIKey | RMHQMSPIVDSWIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B1123 (CAS 179556-34-4), with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol. IUPAC: [5-(3,5-dimethylphenyl)sulfinyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanol.
Chemical Property Profile of KST-1B1123
Property Insights of KST-1B1123
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B1123. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B1123. Following Lipinski's Rule of Five, KST-1B1123 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-1B1123?
The CAS number of KST-1B1123 is 179556-34-4.
What is the molecular formula of KST-1B1123?
The molecular formula of KST-1B1123 is C16H22N2O2S.
What is the molecular weight of KST-1B1123?
The molecular weight of KST-1B1123 is 306.14 g/mol.
Where can I buy KST-1B1123?
You can request a quote for KST-1B1123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B1123?
Yes, KEHONG BIO provides custom synthesis services for KST-1B1123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.