4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate
TL;DR: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate (CAS 355394-73-9) is a chemical compound with molecular formula C23H23NO4 and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-methylbenzoate
Also Known As: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate, [4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-methylbenzoate, 4-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL 4-METHYLBENZOATE, 4-(5-methyl-1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)phenyl 4-methylbenzoate
| Molecular Formula | C23H23NO4 |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 4.13982 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.16272 |
| Heavy Atoms | 28 |
| Complexity | 916.6234 |
Chemical Identifiers
| CAS Number | 355394-73-9 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)C |
Product Overview
4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate (CAS 355394-73-9), with molecular formula C23H23NO4 and molecular weight 377.16 g/mol. IUPAC: [4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-methylbenzoate.
Chemical Property Profile of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate
Property Insights of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate
The XLogP value of 4.13982 indicates that 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate 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-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate. Following Lipinski's Rule of Five, 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate 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-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate?
The CAS number of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate is 355394-73-9.
What is the molecular formula of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate?
The molecular formula of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate is C23H23NO4.
What is the molecular weight of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate?
The molecular weight of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate is 377.16 g/mol.
Where can I buy 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate?
You can request a quote for 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.