![ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate structure](/static/products/7257/725700-62-9.webp)
ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate
TL;DR: ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate (CAS 725700-62-9) is a chemical compound with molecular formula C26H25N3O2S and molecular weight 443.17 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)-2-phenylethyl]carbamothioylamino]benzoate
Also Known As: A3747/0158799, ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate, ethyl 4-(3-(2-(1H-indol-3-yl)-2-phenylethyl)thioureido)benzoate, ethyl 4-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioylamino]benzoate, ETHYL 4-[({[2-(1H-INDOL-3-YL)-2-PHENYLETHYL]AMINO}CARBOTHIOYL)AMINO]BENZOATE
| Molecular Formula | C26H25N3O2S |
|---|---|
| Molecular Weight | 443.17 g/mol |
| LogP | 5.4631 |
| Topological Polar Surface Area | 66.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.16675 |
| Heavy Atoms | 32 |
| Complexity | 1202.7241 |
Chemical Identifiers
| CAS Number | 725700-62-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC(C2=CC=CC=C2)C3=CNC4=CC=CC=C43 |
Product Overview
ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate (CAS 725700-62-9), with molecular formula C26H25N3O2S and molecular weight 443.17 g/mol. IUPAC: ethyl 4-[[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioylamino]benzoate.
Chemical Property Profile of ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate
Property Insights of ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate
The XLogP value of 5.4631 indicates that ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)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)-2-phenylethyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate?
The CAS number of ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate is 725700-62-9.
What is the molecular formula of ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate?
The molecular formula of ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate is C26H25N3O2S.
What is the molecular weight of ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate?
The molecular weight of ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate is 443.17 g/mol.
Where can I buy ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate?
You can request a quote for ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]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-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[2-(1H-indol-3-yl)-2-phenylethyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.