1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride
TL;DR: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride (CAS 141599-50-0) is a chemical compound with molecular formula C20H24BrClN2O3S2 and molecular weight 518.01 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(thiophen-3-ylsulfanylmethyl)indole-3-carboxylate;hydrochloride
Also Known As: 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride, ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(thiophen-3-ylsulfanylmethyl)indole-3-carboxylate;hydrochloride, ethyl 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((thiophen-3-ylthio)methyl)-1H-indole-3-carboxylate hydrochloride, 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-(thiophen-3-ylsulfanylmethyl)-1H-indole-3-carbo xylic acid ethyl ester, ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(thiophen-3-ylsulfanylmethyl)indole-3-carboxylate hydrochloride
Technical Specifications
| Molecular Formula | C20H24BrClN2O3S2 |
| Molecular Weight | 518.01 g/mol |
| XLogP | 5.6603 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.01 Da |
| Heavy Atoms | 29 |
| Complexity | 542.0 |
| SMILES | CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CSC=C3.Cl |
| InChIKey | UALSWMGQDUTJLB-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride
Property Insights of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride
The XLogP value of 5.6603 indicates that 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride has 2 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 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride?
The CAS number of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride is 141599-50-0.
What is the molecular formula of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride?
The molecular formula of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride is C20H24BrClN2O3S2.
What is the molecular weight of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride?
The molecular weight of 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride is 518.01 g/mol.
Where can I buy 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride?
You can request a quote for 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((3-thienylthio)methyl)-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.