N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
TL;DR: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CAS 461431-40-3) is a chemical compound with molecular formula C26H22N2O4S and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Also Known As: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide, AE-848/12530015, 4-(2,5-dioxopyrrolidin-1-yl)-N-[3-(phenylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide, N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-4-(2,5-dioxo-1-pyrrolidinyl)benzamide, N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
| Molecular Formula | C26H22N2O4S |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 4.7636 |
| Topological Polar Surface Area | 83.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.13004 |
| Heavy Atoms | 33 |
| Complexity | 1245.449 |
Chemical Identifiers
| CAS Number | 461431-40-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O)C(=O)C5=CC=CC=C5 |
Product Overview
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CAS 461431-40-3), with molecular formula C26H22N2O4S and molecular weight 458.13 g/mol. IUPAC: N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
Chemical Property Profile of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
Property Insights of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
The XLogP value of 4.7636 indicates that N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide. Following Lipinski's Rule of Five, N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide has 1 hydrogen bond donor(s) and 5 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 N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The CAS number of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is 461431-40-3.
What is the molecular formula of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The molecular formula of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is C26H22N2O4S.
What is the molecular weight of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The molecular weight of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide is 458.13 g/mol.
Where can I buy N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
You can request a quote for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.