3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate
TL;DR: 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate (CAS 694463-57-5) is a chemical compound with molecular formula C28H22N2O5 and molecular weight 466.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyl-1-benzyl-2-methylindol-5-yl) 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate, (3-acetyl-1-benzyl-2-methylindol-5-yl) 2-(1,3-dioxoisoindol-2-yl)acetate, (3-acetyl-1-benzyl-2-methyl-indol-5-yl) 2-(1,3-dioxoisoindol-2-yl)acetate, 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
| Molecular Formula | C28H22N2O5 |
|---|---|
| Molecular Weight | 466.15 g/mol |
| LogP | 4.40222 |
| Topological Polar Surface Area | 85.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.15286 |
| Heavy Atoms | 35 |
| Complexity | 1482.3949 |
Chemical Identifiers
| CAS Number | 694463-57-5 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC(=O)CN4C(=O)C5=CC=CC=C5C4=O)C(=O)C |
Product Overview
3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate (CAS 694463-57-5), with molecular formula C28H22N2O5 and molecular weight 466.15 g/mol. IUPAC: (3-acetyl-1-benzyl-2-methylindol-5-yl) 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate
Property Insights of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate
The XLogP value of 4.40222 indicates that 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate. Following Lipinski's Rule of Five, 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate has 0 hydrogen bond donor(s) and 5 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 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The CAS number of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate is 694463-57-5.
What is the molecular formula of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The molecular formula of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate is C28H22N2O5.
What is the molecular weight of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate?
The molecular weight of 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate is 466.15 g/mol.
Where can I buy 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate?
You can request a quote for 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-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 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-benzyl-2-methyl-1H-indol-5-yl 2-(1,3-dioxoisoindolin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.