2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate
TL;DR: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate (CAS 355816-75-0) is a chemical compound with molecular formula C21H17Cl2NO4 and molecular weight 417.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2,4-dichlorobenzoate
Also Known As: 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate, [2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2,4-dichlorobenzoate, 2-(1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)phenyl 2,4-dichlorobenzoate
| Molecular Formula | C21H17Cl2NO4 |
|---|---|
| Molecular Weight | 417.05 g/mol |
| LogP | 4.8922 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.05347 |
| Heavy Atoms | 28 |
| Complexity | 950.628 |
Chemical Identifiers
| CAS Number | 355816-75-0 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate (CAS 355816-75-0), with molecular formula C21H17Cl2NO4 and molecular weight 417.05 g/mol. IUPAC: [2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2,4-dichlorobenzoate.
Chemical Property Profile of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate
Property Insights of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate
The XLogP value of 4.8922 indicates that 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate 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 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate. Following Lipinski's Rule of Five, 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate 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 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate?
The CAS number of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate is 355816-75-0.
What is the molecular formula of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate?
The molecular formula of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate is C21H17Cl2NO4.
What is the molecular weight of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate?
The molecular weight of 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate is 417.05 g/mol.
Where can I buy 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate?
You can request a quote for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.