KST-1B1136
TL;DR: KST-1B1136 (CAS 1796-27-6) is a chemical compound with molecular formula C24H22Cl2N4O2S and molecular weight 500.08 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-(quinolin-3-ylmethyl)imidazol-2-yl]methyl carbamate
Also Known As: KST-1B1136, 1H-Imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(3-quinolinylmethyl)-, carbamate (ester), {5-[(3,5-dichlorophenyl)sulfanyl]-4-(1-methylethyl)-1-(quinolin-3-ylmethyl)-1h-imidazol-2-yl}methyl carbamate, (5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-(quinolin-3-ylmethyl)-1H-imidazol-2-yl)methyl carbamate, [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(3-quinolylmethyl)imidazol-2-yl]methyl carbamate
| Molecular Formula | C24H22Cl2N4O2S |
|---|---|
| Molecular Weight | 500.08 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.08405 |
| Heavy Atoms | 33 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 1796-27-6 |
|---|---|
| SMILES | CC(C)C1=C(N(C(=N1)COC(=O)N)CC2=CC3=CC=CC=C3N=C2)SC4=CC(=CC(=C4)Cl)Cl |
| InChIKey | SQNQYJGMGCYQSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B1136 (CAS 1796-27-6), with molecular formula C24H22Cl2N4O2S and molecular weight 500.08 g/mol. IUPAC: [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(quinolin-3-ylmethyl)imidazol-2-yl]methyl carbamate.
Chemical Property Profile of KST-1B1136
Property Insights of KST-1B1136
The XLogP value of 5.8 indicates that KST-1B1136 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for KST-1B1136. Following Lipinski's Rule of Five, KST-1B1136 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B1136?
The CAS number of KST-1B1136 is 1796-27-6.
What is the molecular formula of KST-1B1136?
The molecular formula of KST-1B1136 is C24H22Cl2N4O2S.
What is the molecular weight of KST-1B1136?
The molecular weight of KST-1B1136 is 500.08 g/mol.
Where can I buy KST-1B1136?
You can request a quote for KST-1B1136 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B1136?
Yes, KEHONG BIO provides custom synthesis services for KST-1B1136 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.