![4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide structure](/static/products/7178/717861-93-3.webp)
4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
TL;DR: 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide (CAS 717861-93-3) is a chemical compound with molecular formula C23H20Cl2N2O4 and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
Also Known As: 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide, 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzamide, 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzamide (non-preferred name), 4-chloro-N-[2-(4-chlorophenyl)-2-keto-ethyl]-N-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide, N-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-chloranyl-N-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]benzamide
| Molecular Formula | C23H20Cl2N2O4 |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 4.4087 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.08002 |
| Heavy Atoms | 31 |
| Complexity | 1012.54694 |
Chemical Identifiers
| CAS Number | 717861-93-3 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)N(CC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl |
Product Overview
4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide (CAS 717861-93-3), with molecular formula C23H20Cl2N2O4 and molecular weight 458.08 g/mol. IUPAC: 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide.
Chemical Property Profile of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
Property Insights of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
The XLogP value of 4.4087 indicates that 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)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 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide has 0 hydrogen bond donor(s) and 4 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 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
The CAS number of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide is 717861-93-3.
What is the molecular formula of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
The molecular formula of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide is C23H20Cl2N2O4.
What is the molecular weight of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
The molecular weight of 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide is 458.08 g/mol.
Where can I buy 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
You can request a quote for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-N-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.