3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate
TL;DR: 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate (CAS 312945-72-5) is a chemical compound with molecular formula C25H21NO3 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl] benzoate
Also Known As: 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate, 3-acetyl-2-methyl-1-(p-tolyl)-1H-indol-5-yl benzoate, 3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl benzoate, [3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl] benzoate
| Molecular Formula | C25H21NO3 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 5.66914 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.15213 |
| Heavy Atoms | 29 |
| Complexity | 1218.6559 |
Chemical Identifiers
| CAS Number | 312945-72-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=C(C3=C2C=CC(=C3)OC(=O)C4=CC=CC=C4)C(=O)C)C |
Product Overview
3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate (CAS 312945-72-5), with molecular formula C25H21NO3 and molecular weight 383.15 g/mol. IUPAC: [3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl] benzoate.
Chemical Property Profile of 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate
Property Insights of 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate
The XLogP value of 5.66914 indicates that 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate?
The CAS number of 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate is 312945-72-5.
What is the molecular formula of 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate?
The molecular formula of 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate is C25H21NO3.
What is the molecular weight of 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate?
The molecular weight of 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate is 383.15 g/mol.
Where can I buy 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate?
You can request a quote for 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-2-methyl-1-(4-methylphenyl)-1H-indol-5-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.