hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
TL;DR: hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 351998-38-4) is a chemical compound with molecular formula C21H17Cl4NO4 and molecular weight 486.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzoate
Also Known As: hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate, hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzoate, hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxobenzo[c]azolin-2-yl)benzoate, 4-(4,5,6,7-TETRACHLORO-1,3-DIOXO-1,3-2H-ISOINDOL-2-YL)-BENZOIC ACID HEXYL ESTER
| Molecular Formula | C21H17Cl4NO4 |
|---|---|
| Molecular Weight | 486.99 g/mol |
| LogP | 6.8379 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.99118 |
| Heavy Atoms | 30 |
| Complexity | 973.9018 |
Chemical Identifiers
| CAS Number | 351998-38-4 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl |
Product Overview
hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 351998-38-4), with molecular formula C21H17Cl4NO4 and molecular weight 486.99 g/mol. IUPAC: hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)benzoate.
Chemical Property Profile of hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Property Insights of hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
The XLogP value of 6.8379 indicates that hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The CAS number of hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 351998-38-4.
What is the molecular formula of hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular formula of hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is C21H17Cl4NO4.
What is the molecular weight of hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular weight of hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 486.99 g/mol.
Where can I buy hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
You can request a quote for hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for hexyl 4-(4,5,6,7-tetrachloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.