![ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/4610/461041-26-9.webp)
ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 461041-26-9) is a chemical compound with molecular formula C24H25NO6S and molecular weight 455.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-({[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(2-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ETHYL 2-{2-[(4-METHYL-2-OXO-2H-CHROMEN-7-YL)OXY]ACETAMIDO}-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C24H25NO6S |
|---|---|
| Molecular Weight | 455.14 g/mol |
| LogP | 4.62602 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.14026 |
| Heavy Atoms | 32 |
| Complexity | 1225.1879 |
Chemical Identifiers
| CAS Number | 461041-26-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)COC3=CC4=C(C=C3)C(=CC(=O)O4)C |
Product Overview
ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 461041-26-9), with molecular formula C24H25NO6S and molecular weight 455.14 g/mol. IUPAC: ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 4.62602 indicates that ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-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 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 461041-26-9.
What is the molecular formula of ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C24H25NO6S.
What is the molecular weight of ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 455.14 g/mol.
Where can I buy ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-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-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-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.