![methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/903/903853-00-9.png)
methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 903853-00-9) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(oxo{[4-(propan-2-yloxy)benzyl]amino}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.0655 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 917.8978 |
Chemical Identifiers
| CAS Number | 903853-00-9 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)CNC(=O)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC |
Product Overview
methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 903853-00-9), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: methyl 2-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 3.0655 indicates that methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-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 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 903853-00-9.
What is the molecular formula of methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C21H24N2O5S.
What is the molecular weight of methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 416.14 g/mol.
Where can I buy methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-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 methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((4-isopropoxybenzyl)amino)-2-oxoacetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.