![methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate structure](/static/products/1023/1023834-23-2.webp)
methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate
TL;DR: methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate (CAS 1023834-23-2) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate
Also Known As: METHYL 2-((((2-INDOL-3-YLETHYL)AMINO)THIOXOMETHYL)AMINO)BENZOATE, methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate, Methyl 2-[2-(1H-indol-3-yl)ethylthiocarbamoylamino]benzoate, methyl 2-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.4836 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 904.3304 |
Chemical Identifiers
| CAS Number | 1023834-23-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=S)NCCC2=CNC3=CC=CC=C32 |
Product Overview
methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate (CAS 1023834-23-2), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate.
Chemical Property Profile of methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate
Property Insights of methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate
The XLogP value of 3.4836 indicates that methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.15 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate. Following Lipinski's Rule of Five, methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate has 3 hydrogen bond donor(s) and 3 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 methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
The CAS number of methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate is 1023834-23-2.
What is the molecular formula of methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
The molecular formula of methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate is C19H19N3O2S.
What is the molecular weight of methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
The molecular weight of methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate is 353.12 g/mol.
Where can I buy methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
You can request a quote for methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.