![ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide structure](/static/products/149/149225-71-8.webp)
ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide
TL;DR: ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide (CAS 149225-71-8) is a chemical compound with molecular formula C21H20Br3N3O4S and molecular weight 646.8725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-acetyloxy-6-bromo-1-(4-bromophenyl)-2-(carbamimidoylsulfanylmethyl)indole-3-carboxylate;hydrobromide
Also Known As: ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide, ethyl 5-acetoxy-6-bromo-1-(4-bromophenyl)-2-((carbamimidoylthio)methyl)-1H-indole-3-carboxylate hydrobromide, ethyl 5-acetyloxy-6-bromo-1-(4-bromophenyl)-2-(carbamimidoylsulfanylmethyl)indole-3-carboxylate hydrobromide, REGID_for_CID_2834619
Technical Specifications
| Molecular Formula | C21H20Br3N3O4S |
| Molecular Weight | 646.8725 g/mol |
| XLogP | 5.96207 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 646.8725 Da |
| Heavy Atoms | 32 |
| Complexity | 677.0 |
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C3=CC=C(C=C3)Br)CSC(=N)N.Br |
| InChIKey | GZXVFNNSIHDUDB-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide
Property Insights of ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide
The XLogP value of 5.96207 indicates that ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide. Following Lipinski's Rule of Five, ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide?
The CAS number of ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide is 149225-71-8.
What is the molecular formula of ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide?
The molecular formula of ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide is C21H20Br3N3O4S.
What is the molecular weight of ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide?
The molecular weight of ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide is 646.8725 g/mol.
Where can I buy ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide?
You can request a quote for ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide?
Yes, CoreyChem provides custom synthesis services for ethyl 5-(acetyloxy)-2-({[amino(imino)methyl]thio}methyl)-6-bromo-1-(4-bromophenyl)-1H-indole-3-carboxylate hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.