![methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/6111/611192-99-5.webp)
methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 611192-99-5) 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-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, methyl 2-{[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.4284 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 1007.14404 |
Chemical Identifiers
| CAS Number | 611192-99-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 611192-99-5), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: methyl 2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 3.4284 indicates that methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-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-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-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-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 611192-99-5.
What is the molecular formula of methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C22H22N2O5S.
What is the molecular weight of methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 426.12 g/mol.
Where can I buy methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-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-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.