5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester
TL;DR: 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester (CAS 149225-69-4) is a chemical compound with molecular formula C16H19Br2N3O4S and molecular weight 506.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methylindole-3-carboxylate;hydrobromide
Also Known As: 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester, ethyl 5-acetoxy-6-bromo-2-((carbamimidoylthio)methyl)-1-methyl-1H-indole-3-carboxylate hydrobromide, ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methylindole-3-carboxylate hydrobromide
| Molecular Formula | C16H19Br2N3O4S |
|---|---|
| Molecular Weight | 506.95 g/mol |
| LogP | 3.74737 |
| Topological Polar Surface Area | 107.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.9463 |
| Heavy Atoms | 26 |
| Complexity | 867.0323 |
Chemical Identifiers
| CAS Number | 149225-69-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC(=N)N.Br |
Product Overview
5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester (CAS 149225-69-4), with molecular formula C16H19Br2N3O4S and molecular weight 506.95 g/mol. IUPAC: ethyl 5-acetyloxy-6-bromo-2-(carbamimidoylsulfanylmethyl)-1-methylindole-3-carboxylate;hydrobromide.
Chemical Property Profile of 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester
Property Insights of 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester
The XLogP value of 3.74737 indicates that 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester?
The CAS number of 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester is 149225-69-4.
What is the molecular formula of 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester?
The molecular formula of 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester is C16H19Br2N3O4S.
What is the molecular weight of 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester?
The molecular weight of 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester is 506.95 g/mol.
Where can I buy 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester?
You can request a quote for 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetoxy-6-bromo-2-carbamimidoylsulfanylmethyl-1-methyl-1H-indole-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.