1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate
TL;DR: 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate (CAS 77941-23-2) is a chemical compound with molecular formula C24H31ClN2O6S and molecular weight 510.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;4-methylbenzenesulfonic acid
Also Known As: 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate, 1-(beta-Dimethylaminoaethyl)-2-ethoxycarbonyl-3-ethoxy-6-chlor-indol-toluol-4-sulfonat, 4-Methylbenzene-1-sulfonic acid--ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxy-1H-indole-2-carboxylate (1/1), ethyl 6-chloro-1-(2-dimethylaminoethyl)-3-ethoxy-indole-2-carboxylate; 4-methylbenzenesulfonic acid, ethyl 6-chloro-1-(2-dimethylaminoethyl)-3-ethoxyindole-2-carboxylate; 4-methylbenzenesulfonic acid
| Molecular Formula | C24H31ClN2O6S |
|---|---|
| Molecular Weight | 510.16 g/mol |
| LogP | 4.67342 |
| Topological Polar Surface Area | 98.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.15915 |
| Heavy Atoms | 34 |
| Complexity | 1220.4841 |
Chemical Identifiers
| CAS Number | 77941-23-2 |
|---|---|
| SMILES | CCOC1=C(N(C2=C1C=CC(=C2)Cl)CCN(C)C)C(=O)OCC.CC1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate (CAS 77941-23-2), with molecular formula C24H31ClN2O6S and molecular weight 510.16 g/mol. IUPAC: ethyl 6-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;4-methylbenzenesulfonic acid.
Chemical Property Profile of 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate
Property Insights of 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate
The XLogP value of 4.67342 indicates that 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate has 1 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 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate?
The CAS number of 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate is 77941-23-2.
What is the molecular formula of 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate?
The molecular formula of 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate is C24H31ClN2O6S.
What is the molecular weight of 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate?
The molecular weight of 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate is 510.16 g/mol.
Where can I buy 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate?
You can request a quote for 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole-2-carboxylic acid, 6-chloro-1-(2-(dimethylamino)ethyl)-3-ethoxy-, ethyl ester, 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.