4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
TL;DR: 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 356089-07-1) is a chemical compound with molecular formula C25H21NO4 and molecular weight 399.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 2-(1,3-dioxoisoindol-2-yl)benzoate
Also Known As: (4-tert-butylphenyl) 2-(1,3-dioxoisoindol-2-yl)benzoate, 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate, 4-(tert-butyl)phenyl 2-(1,3-dioxoisoindolin-2-yl)benzoate, 4-(tert-butyl)phenyl 2-(1,3-dioxobenzo[c]azolidin-2-yl)benzoate
| Molecular Formula | C25H21NO4 |
|---|---|
| Molecular Weight | 399.15 g/mol |
| LogP | 5.0039 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.14706 |
| Heavy Atoms | 30 |
| Complexity | 1121.2662 |
Chemical Identifiers
| CAS Number | 356089-07-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 356089-07-1), with molecular formula C25H21NO4 and molecular weight 399.15 g/mol. IUPAC: (4-tert-butylphenyl) 2-(1,3-dioxoisoindol-2-yl)benzoate.
Chemical Property Profile of 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Property Insights of 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
The XLogP value of 5.0039 indicates that 4-tert-butylphenyl 2-(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 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 4-tert-butylphenyl 2-(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 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The CAS number of 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 356089-07-1.
What is the molecular formula of 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is C25H21NO4.
What is the molecular weight of 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 399.15 g/mol.
Where can I buy 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 4-tert-butylphenyl 2-(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 4-tert-butylphenyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butylphenyl 2-(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.