3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate
TL;DR: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate (CAS 374102-49-5) is a chemical compound with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-nitrobenzoate
Also Known As: 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate
| Molecular Formula | C25H20N2O6 |
|---|---|
| Molecular Weight | 444.13 g/mol |
| LogP | 5.27752 |
| Topological Polar Surface Area | 100.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.13214 |
| Heavy Atoms | 33 |
| Complexity | 1402.6921 |
Chemical Identifiers
| CAS Number | 374102-49-5 |
|---|---|
| SMILES | CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)OC(=O)C4=CC=CC=C4[N+](=O)[O-])C(=O)C |
Product Overview
3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate (CAS 374102-49-5), with molecular formula C25H20N2O6 and molecular weight 444.13 g/mol. IUPAC: [3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] 2-nitrobenzoate.
Chemical Property Profile of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate
Property Insights of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate
The XLogP value of 5.27752 indicates that 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate. Following Lipinski's Rule of Five, 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate?
The CAS number of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate is 374102-49-5.
What is the molecular formula of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate?
The molecular formula of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate is C25H20N2O6.
What is the molecular weight of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate?
The molecular weight of 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate is 444.13 g/mol.
Where can I buy 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate?
You can request a quote for 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate 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-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-acetyl-1-(4-methoxyphenyl)-2-methyl-1H-indol-5-yl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.