![ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/6867/686743-80-6.webp)
ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 686743-80-6) is a chemical compound with molecular formula C25H30N2O5S2 and molecular weight 502.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(1-ethylindol-3-yl)sulfonylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, F0590-0145, ethyl 2-[2-(1-ethylindol-3-yl)sulfonylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-{2-[(1-ethyl-1H-indol-3-yl)sulfonyl]propanamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C25H30N2O5S2 |
|---|---|
| Molecular Weight | 502.16 g/mol |
| LogP | 4.9692 |
| Topological Polar Surface Area | 94.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.1596 |
| Heavy Atoms | 34 |
| Complexity | 1336.7676 |
Chemical Identifiers
| CAS Number | 686743-80-6 |
|---|---|
| SMILES | CCN1C=C(C2=CC=CC=C21)S(=O)(=O)C(C)C(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OCC |
Product Overview
ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 686743-80-6), with molecular formula C25H30N2O5S2 and molecular weight 502.16 g/mol. IUPAC: ethyl 2-[2-(1-ethylindol-3-yl)sulfonylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 4.9692 indicates that ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate 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 ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 686743-80-6.
What is the molecular formula of ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C25H30N2O5S2.
What is the molecular weight of ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 502.16 g/mol.
Where can I buy ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[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-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((1-ethyl-1H-indol-3-yl)sulfonyl)propanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.