1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester
TL;DR: 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester (CAS 78358-34-6) is a chemical compound with molecular formula C20H17ClN4O3S and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(3-chlorobenzoyl)indole-2-carboxylate
Also Known As: 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester, Ethyl 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(3-chlorobenzoyl)indole-2-carboxylate
| Molecular Formula | C20H17ClN4O3S |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 3.327 |
| Topological Polar Surface Area | 98.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.07098 |
| Heavy Atoms | 29 |
| Complexity | 1139.9568 |
Chemical Identifiers
| CAS Number | 78358-34-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)Cl)/C=N/NC(=S)N |
Product Overview
1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester (CAS 78358-34-6), with molecular formula C20H17ClN4O3S and molecular weight 428.07 g/mol. IUPAC: ethyl 3-[(E)-(carbamothioylhydrazinylidene)methyl]-1-(3-chlorobenzoyl)indole-2-carboxylate.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester
Property Insights of 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester
The XLogP value of 3.327 indicates that 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester has 2 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 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester?
The CAS number of 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester is 78358-34-6.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester?
The molecular formula of 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester is C20H17ClN4O3S.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester?
The molecular weight of 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester is 428.07 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester?
You can request a quote for 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 3-(((aminothioxomethyl)hydrazono)methyl)-1-(3-chlorobenzoyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.