![Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate structure](/static/products/6812/681276-74-4.webp)
Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate (CAS 681276-74-4) is a chemical compound with molecular formula C27H26N2O3S and molecular weight 458.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate
Also Known As: ethyl 4-(2-((1-(4-methylbenzyl)-1H-indol-3-yl)thio)acetamido)benzoate, F0545-0539, Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate, ethyl 4-[2-({1-[(4-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamido]benzoate
| Molecular Formula | C27H26N2O3S |
|---|---|
| Molecular Weight | 458.17 g/mol |
| LogP | 5.90552 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.1664 |
| Heavy Atoms | 33 |
| Complexity | 1261.026 |
Chemical Identifiers
| CAS Number | 681276-74-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)C |
Product Overview
Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate (CAS 681276-74-4), with molecular formula C27H26N2O3S and molecular weight 458.17 g/mol. IUPAC: ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate
The XLogP value of 5.90552 indicates that Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate has 1 hydrogen bond donor(s) and 4 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-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate is 681276-74-4.
What is the molecular formula of Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate is C27H26N2O3S.
What is the molecular weight of Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate is 458.17 g/mol.
Where can I buy Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]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-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.