(4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
TL;DR: (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate (CAS 6891-79-8) is a chemical compound with molecular formula C23H25NO4 and molecular weight 379.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate
Also Known As: (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate, (4-tert-butylphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate, Pyrrolidinium, 1,1-dimethyl-2-carboxy-, hydroxide, inner salt, hexachloroplatinate(IV), Pyrrolidinium, 2-carboxy-1,1-dimethyl-, (S)-, (OC-6-11)-hexachloroplatinate(2-) (2:1)
| Molecular Formula | C23H25NO4 |
|---|---|
| Molecular Weight | 379.18 g/mol |
| LogP | 4.1037 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.17834 |
| Heavy Atoms | 28 |
| Complexity | 858.5635 |
Chemical Identifiers
| CAS Number | 6891-79-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O |
Product Overview
(4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate (CAS 6891-79-8), with molecular formula C23H25NO4 and molecular weight 379.18 g/mol. IUPAC: (4-tert-butylphenyl)methyl 4-(1,3-dioxoisoindol-2-yl)butanoate.
Chemical Property Profile of (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
Property Insights of (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
The XLogP value of 4.1037 indicates that (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate 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)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate. Following Lipinski's Rule of Five, (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate 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-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The CAS number of (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is 6891-79-8.
What is the molecular formula of (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The molecular formula of (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is C23H25NO4.
What is the molecular weight of (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The molecular weight of (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is 379.18 g/mol.
Where can I buy (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
You can request a quote for (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate 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)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-tert-Butylphenyl)methyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.