![ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/6812/681276-19-7.webp)
ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 681276-19-7) is a chemical compound with molecular formula C28H28N2O3S2 and molecular weight 504.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, F0545-0400, ethyl 2-[[2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-({1-[(3-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C28H28N2O3S2 |
|---|---|
| Molecular Weight | 504.15 g/mol |
| LogP | 6.45572 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.15414 |
| Heavy Atoms | 35 |
| Complexity | 1402.7206 |
Chemical Identifiers
| CAS Number | 681276-19-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=CN(C4=CC=CC=C43)CC5=CC=CC(=C5)C |
Product Overview
ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 681276-19-7), with molecular formula C28H28N2O3S2 and molecular weight 504.15 g/mol. IUPAC: ethyl 2-[[2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 6.45572 indicates that ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 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 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 681276-19-7.
What is the molecular formula of ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C28H28N2O3S2.
What is the molecular weight of ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 504.15 g/mol.
Where can I buy ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((1-(3-methylbenzyl)-1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.