KST-1B1121
TL;DR: KST-1B1121 (CAS 17954-24-4) is a chemical compound with molecular formula C15H15ClN4O2S and molecular weight 350.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(3-chlorophenyl)sulfanyl-4-(1-cyanoethyl)-1-methylimidazol-2-yl]methyl carbamate
Also Known As: KST-1B1121, {5-[(3-chlorophenyl)sulfanyl]-4-(1-cyanoethyl)-1-methyl-1h-imidazol-2-yl}methyl carbamate, 1H-Imidazole-4-acetonitrile, 2-(((aminocarbonyl)oxy)methyl)-5-((3-chlorophenyl)thio)-alpha,1-dimethyl-, (5-((3-Chlorophenyl)thio)-4-(1-cyanoethyl)-1-methyl-1H-imidazol-2-yl)methyl carbamate, [5-(3-chlorophenyl)sulfanyl-4-(1-cyanoethyl)-1-methyl-imidazol-2-yl]methyl carbamate
| Molecular Formula | C15H15ClN4O2S |
|---|---|
| Molecular Weight | 350.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.06042 |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 17954-24-4 |
|---|---|
| SMILES | CC(C#N)C1=C(N(C(=N1)COC(=O)N)C)SC2=CC(=CC=C2)Cl |
| InChIKey | HCPYXEGPJDJDPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B1121 (CAS 17954-24-4), with molecular formula C15H15ClN4O2S and molecular weight 350.06 g/mol. IUPAC: [5-(3-chlorophenyl)sulfanyl-4-(1-cyanoethyl)-1-methylimidazol-2-yl]methyl carbamate.
Chemical Property Profile of KST-1B1121
Property Insights of KST-1B1121
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for KST-1B1121. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B1121. Following Lipinski's Rule of Five, KST-1B1121 has 1 hydrogen bond donor(s) and 5 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-1B1121?
The CAS number of KST-1B1121 is 17954-24-4.
What is the molecular formula of KST-1B1121?
The molecular formula of KST-1B1121 is C15H15ClN4O2S.
What is the molecular weight of KST-1B1121?
The molecular weight of KST-1B1121 is 350.06 g/mol.
Where can I buy KST-1B1121?
You can request a quote for KST-1B1121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B1121?
Yes, KEHONG BIO provides custom synthesis services for KST-1B1121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.