ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate
TL;DR: ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate (CAS 536702-52-0) is a chemical compound with molecular formula C23H25N3O3S and molecular weight 423.16 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]piperazine-1-carboxylate
Also Known As: IFLab1_002447, F0575-0087, ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-{2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate, ethyl 4-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C23H25N3O3S |
|---|---|
| Molecular Weight | 423.16 g/mol |
| LogP | 4.2277 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.16165 |
| Heavy Atoms | 30 |
| Complexity | 1026.6091 |
Chemical Identifiers
| CAS Number | 536702-52-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(NC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate (CAS 536702-52-0), with molecular formula C23H25N3O3S and molecular weight 423.16 g/mol. IUPAC: ethyl 4-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate
Property Insights of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate
The XLogP value of 4.2277 indicates that ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate has 1 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-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate is 536702-52-0.
What is the molecular formula of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate is C23H25N3O3S.
What is the molecular weight of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate is 423.16 g/mol.
Where can I buy ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate 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)acetyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((2-phenyl-1H-indol-3-yl)thio)acetyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.