![methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/3694/369402-72-2.webp)
methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 369402-72-2) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(2-(1,3-dioxoisoindolin-2-yl)-3-methylbutanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, METHYL 2-[2-(1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOL-2-YL)-3-METHYLBUTANAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[2-(1,3-dioxobenzo[c]azolin-2-yl)-3-methylbutanoylamino]-4,5,6-trihyd rocyclopenta[2,1-b]thiophene-3-carboxylate
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.2827 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1036.4753 |
Chemical Identifiers
| CAS Number | 369402-72-2 |
|---|---|
| SMILES | CC(C)C(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)OC)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 369402-72-2), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: methyl 2-[[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 3.2827 indicates that methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-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 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 1 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-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 369402-72-2.
What is the molecular formula of methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C22H22N2O5S.
What is the molecular weight of methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 426.12 g/mol.
Where can I buy methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-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-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.