ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate
TL;DR: ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate (CAS 141061-97-4) is a chemical compound with molecular formula C21H20BrNO4S and molecular weight 461.02963 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-acetyloxy-6-bromo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Also Known As: ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate, Ethyl 5-acetoxy-6-bromo-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate, ethyl 5-acetyloxy-6-bromo-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate, Ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate, 6-bromo-3-(ethoxycarbonyl)-1-methyl-2-(phenylthiomethyl)indol-5-yl acetate
Technical Specifications
| Molecular Formula | C21H20BrNO4S |
| Molecular Weight | 461.02963 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.02963 Da |
| Heavy Atoms | 28 |
| Complexity | 557.0 |
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=CC=C3 |
| InChIKey | PLUCUIPGCPBWEW-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate
Property Insights of ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate
The XLogP value of 4.7 indicates that ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate?
The CAS number of ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate is 141061-97-4.
What is the molecular formula of ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate is C21H20BrNO4S.
What is the molecular weight of ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate is 461.02963 g/mol.
Where can I buy ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-acetoxy-6-bromo-1-methyl-2-(phenylthiomethyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.