![ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate structure](/static/products/831/831241-00-0.png)
ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate
TL;DR: ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate (CAS 831241-00-0) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate
Also Known As: ethyl 4-(3-(2-(5-methoxy-1H-indol-3-yl)ethyl)thioureido)benzoate, ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate, ethyl 4-[({[2-(5-methoxyindol-3-yl)ethyl]amino}thioxomethyl)amino]benzoate, ethyl 4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate, ETHYL 4-[({[2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]AMINO}CARBOTHIOYL)AMINO]BENZOATE
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.8823 |
| Topological Polar Surface Area | 75.38 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 966.69116 |
Chemical Identifiers
| CAS Number | 831241-00-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CNC3=C2C=C(C=C3)OC |
Product Overview
ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate (CAS 831241-00-0), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: ethyl 4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate
Property Insights of ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate
The XLogP value of 3.8823 indicates that ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.38 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate has 3 hydrogen bond donor(s) and 4 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-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate?
The CAS number of ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate is 831241-00-0.
What is the molecular formula of ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate?
The molecular formula of ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate is C21H23N3O3S.
What is the molecular weight of ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate?
The molecular weight of ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate is 397.15 g/mol.
Where can I buy ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate?
You can request a quote for ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)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-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.