ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate
TL;DR: ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate (CAS 1704066-63-6) is a chemical compound with molecular formula C22H22BrNO4S and molecular weight 475.0453 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-[(4-methylphenyl)sulfanylmethyl]indole-3-carboxylate
Also Known As: BAS 01507323, ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate, Ethyl 5-acetoxy-6-bromo-1-methyl-2-((p-tolylthio)methyl)-1H-indole-3-carboxylate, ethyl 5-acetyloxy-6-bromo-1-methyl-2-[(4-methylphenyl)sulfanylmethyl]indole-3-carboxylate, ethyl 5-(acetyloxy)-6-bromo-1-methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-1H-indole-3-carboxylate
Technical Specifications
| Molecular Formula | C22H22BrNO4S |
| Molecular Weight | 475.0453 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.0453 Da |
| Heavy Atoms | 29 |
| Complexity | 583.0 |
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=CC=C(C=C3)C |
| InChIKey | NTBRBRYSWHMBTI-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate
Property Insights of ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate
The XLogP value of 5.1 indicates that ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-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-(p-tolylthiomethyl)-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate?
The CAS number of ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate is 1704066-63-6.
What is the molecular formula of ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate is C22H22BrNO4S.
What is the molecular weight of ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate is 475.0453 g/mol.
Where can I buy ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-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-(p-tolylthiomethyl)-1H-indole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 5-acetoxy-6-bromo-1-methyl-2-(p-tolylthiomethyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.