ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate (CAS 497073-40-2) is a chemical compound with molecular formula C30H31N3O6S and molecular weight 561.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate
Also Known As: ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate, Ethyl 4-[[2-[1-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate, ethyl 4-{2-[(1-{2-[(3,4-dimethoxyphenyl)formamido]ethyl}-1H-indol-3-yl)sulfanyl]acetamido}benzoate, F0554-0999
| Molecular Formula | C30H31N3O6S |
|---|---|
| Molecular Weight | 561.19 g/mol |
| LogP | 4.996 |
| Topological Polar Surface Area | 107.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 561.19336 |
| Heavy Atoms | 40 |
| Complexity | 1499.3638 |
Chemical Identifiers
| CAS Number | 497073-40-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CCNC(=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate (CAS 497073-40-2), with molecular formula C30H31N3O6S and molecular weight 561.19 g/mol. IUPAC: ethyl 4-[[2-[1-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate
The XLogP value of 4.996 indicates that ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate is 497073-40-2.
What is the molecular formula of ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate is C30H31N3O6S.
What is the molecular weight of ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate is 561.19 g/mol.
Where can I buy ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((1-(2-(3,4-dimethoxybenzamido)ethyl)-1H-indol-3-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.