![ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate structure](/static/products/351/351060-54-3.png)
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate
TL;DR: ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate (CAS 351060-54-3) is a chemical compound with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate
Also Known As: BAS 02232531, ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate, AB00104088-01, ethyl 4-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate, ethyl 4-(3-(2-(1H-indol-3-yl)ethyl)thioureido)benzoate
| Molecular Formula | C20H21N3O2S |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | 3.8737 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.13544 |
| Heavy Atoms | 26 |
| Complexity | 902.8201 |
Chemical Identifiers
| CAS Number | 351060-54-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32 |
Product Overview
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate (CAS 351060-54-3), with molecular formula C20H21N3O2S and molecular weight 367.14 g/mol. IUPAC: ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate
Property Insights of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate
The XLogP value of 3.8737 indicates that ethyl 4-[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 ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate. Following Lipinski's Rule of Five, ethyl 4-[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 ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
The CAS number of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate is 351060-54-3.
What is the molecular formula of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
The molecular formula of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate is C20H21N3O2S.
What is the molecular weight of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
The molecular weight of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate is 367.14 g/mol.
Where can I buy ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
You can request a quote for ethyl 4-[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 ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.