![Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester structure](/static/products/127/127227-40-1.png)
Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester
TL;DR: Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester (CAS 127227-40-1) is a chemical compound with molecular formula C23H17ClN6O2S2 and molecular weight 508.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-[5-hydroxy-4-(indol-3-ylidenemethyl)-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(4-chloroanilino)ethanethioate
Also Known As: Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester
| Molecular Formula | C23H17ClN6O2S2 |
|---|---|
| Molecular Weight | 508.05 g/mol |
| LogP | 5.37852 |
| Topological Polar Surface Area | 105.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 508.0543 |
| Heavy Atoms | 34 |
| Complexity | 1442.1738 |
Chemical Identifiers
| CAS Number | 127227-40-1 |
|---|---|
| SMILES | CC1=NC(=C(N1C2=NN=C(S2)SC(=O)CNC3=CC=C(C=C3)Cl)O)C=C4C=NC5=CC=CC=C54 |
Product Overview
Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester (CAS 127227-40-1), with molecular formula C23H17ClN6O2S2 and molecular weight 508.05 g/mol. IUPAC: S-[5-[5-hydroxy-4-(indol-3-ylidenemethyl)-2-methylimidazol-1-yl]-1,3,4-thiadiazol-2-yl] 2-(4-chloroanilino)ethanethioate.
Chemical Property Profile of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester
Property Insights of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester
The XLogP value of 5.37852 indicates that Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester. Following Lipinski's Rule of Five, Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
The CAS number of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester is 127227-40-1.
What is the molecular formula of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
The molecular formula of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester is C23H17ClN6O2S2.
What is the molecular weight of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
The molecular weight of Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester is 508.05 g/mol.
Where can I buy Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
You can request a quote for Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid,2-[(4-chlorophenyl)amino]-,S-[5-[4,5-dihydro-4-(1H-indol-3-ylmethylene)-2-methyl-5-oxo-1H-imidazol-1-yl]-1,3,4-thiadiazol-2-yl]ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.