ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate (CAS 536702-60-0) is a chemical compound with molecular formula C25H22N2O3S and molecular weight 430.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: F0575-0095, ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate, ethyl 4-{2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamido}benzoate, Ethyl 4-[[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetyl]amino]benzoate, ethyl p-{[(2-phenyl-3-indolylthio)methyl]carbonylamino}benzoate
| Molecular Formula | C25H22N2O3S |
|---|---|
| Molecular Weight | 430.14 g/mol |
| LogP | 5.7424 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.1351 |
| Heavy Atoms | 31 |
| Complexity | 1200.6643 |
Chemical Identifiers
| CAS Number | 536702-60-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(NC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate (CAS 536702-60-0), with molecular formula C25H22N2O3S and molecular weight 430.14 g/mol. IUPAC: ethyl 4-[[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate
The XLogP value of 5.7424 indicates that ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 4 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-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate is 536702-60-0.
What is the molecular formula of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate is C25H22N2O3S.
What is the molecular weight of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate is 430.14 g/mol.
Where can I buy ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)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-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.