4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate
TL;DR: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate (CAS 355412-72-5) 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.
[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2-bromobenzoate
Also Known As: 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate, [4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2-bromobenzoate, 4-(5-methyl-1,3-dioxo-4,5,6,7,3a,7a-hexahydroisoindol-2-yl)phenyl 2-bromobenzo ate, 4-(5-METHYL-1,3-DIOXO-HEXAHYDROISOINDOL-2-YL)PHENYL 2-BROMOBENZOATE, 4-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL 2-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 | 355412-72-5 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br |
Product Overview
4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate (CAS 355412-72-5), with molecular formula C22H20BrNO4 and molecular weight 441.06 g/mol. IUPAC: [4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl] 2-bromobenzoate.
Chemical Property Profile of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate
Property Insights of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate
The XLogP value of 4.5939 indicates that 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-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 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate. Following Lipinski's Rule of Five, 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-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 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate?
The CAS number of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate is 355412-72-5.
What is the molecular formula of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate?
The molecular formula of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate is C22H20BrNO4.
What is the molecular weight of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate?
The molecular weight of 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate is 441.06 g/mol.
Where can I buy 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate?
You can request a quote for 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate 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 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.