2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate
TL;DR: 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate (CAS 438469-81-9) is a chemical compound with molecular formula C22H20BrNO4 and molecular weight 441.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-bromobenzoate
Also Known As: 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate, [2-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-bromobenzoate, 2-(5-methyl-1,3-dioxo-4,5,6,7,3a,7a-hexahydroisoindol-2-yl)phenyl 4-bromobenzo ate, 2-(5-METHYL-1,3-DIOXO-HEXAHYDROISOINDOL-2-YL)PHENYL 4-BROMOBENZOATE, 2-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL 4-BROMOBENZOATE
| Molecular Formula | C22H20BrNO4 |
|---|---|
| Molecular Weight | 441.06 g/mol |
| LogP | 4.5939 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.05756 |
| Heavy Atoms | 28 |
| Complexity | 939.80786 |
Chemical Identifiers
| CAS Number | 438469-81-9 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Br |
Product Overview
2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate (CAS 438469-81-9), with molecular formula C22H20BrNO4 and molecular weight 441.06 g/mol. IUPAC: [2-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 4-bromobenzoate.
Chemical Property Profile of 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate
Property Insights of 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate
The XLogP value of 4.5939 indicates that 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 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-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate. Following Lipinski's Rule of Five, 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate 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-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate?
The CAS number of 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate is 438469-81-9.
What is the molecular formula of 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate?
The molecular formula of 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate is C22H20BrNO4.
What is the molecular weight of 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate?
The molecular weight of 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate is 441.06 g/mol.
Where can I buy 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate?
You can request a quote for 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.