4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
TL;DR: 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate (CAS 664975-98-8) is a chemical compound with molecular formula C26H27NO4 and molecular weight 417.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-methylbutan-2-yl)phenyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
Also Known As: 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, [4-(2-methylbutan-2-yl)phenyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate, 4-(2-methylbutan-2-yl)phenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
| Molecular Formula | C26H27NO4 |
|---|---|
| Molecular Weight | 417.19 g/mol |
| LogP | 5.049 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.194 |
| Heavy Atoms | 31 |
| Complexity | 1025.3315 |
Chemical Identifiers
| CAS Number | 664975-98-8 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4CC=CCC4C3=O |
Product Overview
4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate (CAS 664975-98-8), with molecular formula C26H27NO4 and molecular weight 417.19 g/mol. IUPAC: [4-(2-methylbutan-2-yl)phenyl] 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate.
Chemical Property Profile of 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
Property Insights of 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 5.049 indicates that 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The CAS number of 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is 664975-98-8.
What is the molecular formula of 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is C26H27NO4.
What is the molecular weight of 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate is 417.19 g/mol.
Where can I buy 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-pentylphenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.