(5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
TL;DR: (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate (CAS 474376-97-1) is a chemical compound with molecular formula C20H24BrNO4 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
Also Known As: (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate, 2-isopropyl-5-methylcyclohexyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate, 5-methyl-2-(propan-2-yl)cyclohexyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate, 2-isopropyl-5-methylcyclohexyl 2-(5-bromo-1,3-dioxoisoindolin-2-yl)acetate, 2-ISOPROPYL-5-METHYLCYCLOHEXYL 2-(5-BROMO-1,3-DIOXOISOINDOL-2-YL)ACETATE
| Molecular Formula | C20H24BrNO4 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 4.0491 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.08887 |
| Heavy Atoms | 26 |
| Complexity | 745.3268 |
Chemical Identifiers
| CAS Number | 474376-97-1 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(C)C |
Product Overview
(5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate (CAS 474376-97-1), with molecular formula C20H24BrNO4 and molecular weight 421.09 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
Property Insights of (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
The XLogP value of 4.0491 indicates that (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate 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 (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate. Following Lipinski's Rule of Five, (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate 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 (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
The CAS number of (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate is 474376-97-1.
What is the molecular formula of (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
The molecular formula of (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate is C20H24BrNO4.
What is the molecular weight of (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
The molecular weight of (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate is 421.09 g/mol.
Where can I buy (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
You can request a quote for (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Methyl-2-propan-2-ylcyclohexyl) 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.