2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
TL;DR: 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide (CAS 827008-65-1) is a chemical compound with molecular formula C21H18Cl2N2O4S and molecular weight 464.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
Also Known As: 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide, 2,4-dichloro-N-(1,3-dioxooctahydro-2H-isoindol-2-yl)-N-[2-oxo-2-(thiophen-2-yl)ethyl]benzamide
| Molecular Formula | C21H18Cl2N2O4S |
|---|---|
| Molecular Weight | 464.04 g/mol |
| LogP | 4.4702 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.03644 |
| Heavy Atoms | 30 |
| Complexity | 1000.0186 |
Chemical Identifiers
| CAS Number | 827008-65-1 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)N(CC(=O)C3=CC=CS3)C(=O)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide (CAS 827008-65-1), with molecular formula C21H18Cl2N2O4S and molecular weight 464.04 g/mol. IUPAC: 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide.
Chemical Property Profile of 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
Property Insights of 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
The XLogP value of 4.4702 indicates that 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide. Following Lipinski's Rule of Five, 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide has 0 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 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The CAS number of 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is 827008-65-1.
What is the molecular formula of 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The molecular formula of 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is C21H18Cl2N2O4S.
What is the molecular weight of 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The molecular weight of 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is 464.04 g/mol.
Where can I buy 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
You can request a quote for 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dichloro-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-oxo-2-thiophen-2-ylethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.