4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
TL;DR: 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 474091-84-4) 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-bromophenyl) 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate
Also Known As: 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate, (4-bromophenyl) 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate, 4-BROMOPHENYL 4-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)BENZOATE, 4-bromophenyl 4-(5-methyl-1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)benzoate
| 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 | 922.55786 |
Chemical Identifiers
| CAS Number | 474091-84-4 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)Br |
Product Overview
4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate (CAS 474091-84-4), with molecular formula C22H20BrNO4 and molecular weight 441.06 g/mol. IUPAC: (4-bromophenyl) 4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoate.
Chemical Property Profile of 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
Property Insights of 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate
The XLogP value of 4.5939 indicates that 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-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-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate 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-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The CAS number of 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 474091-84-4.
What is the molecular formula of 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular formula of 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is C22H20BrNO4.
What is the molecular weight of 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
The molecular weight of 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate is 441.06 g/mol.
Where can I buy 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
You can request a quote for 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-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-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-bromophenyl 4-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.