ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate
TL;DR: ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate (CAS 391862-16-1) is a chemical compound with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-(4-methyl-3-nitrobenzoyl)oxy-1-phenylindole-3-carboxylate
Also Known As: ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate, ethyl 2-methyl-5-(4-methyl-3-nitrobenzoyl)oxy-1-phenylindole-3-carboxylate, F0453-0038, Ethyl 2-methyl-5-(4-methyl-3-nitro-benzoyl)oxy-1-phenyl-indole-3-carboxylate, ETHYL 2-METHYL-5-(4-METHYL-3-NITROBENZOYLOXY)-1-PHENYL-1H-INDOLE-3-CARBOXYLATE
| Molecular Formula | C26H22N2O6 |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 5.55144 |
| Topological Polar Surface Area | 100.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1478 |
| Heavy Atoms | 34 |
| Complexity | 1422.5076 |
Chemical Identifiers
| CAS Number | 391862-16-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C4=CC=CC=C4)C |
Product Overview
ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate (CAS 391862-16-1), with molecular formula C26H22N2O6 and molecular weight 458.15 g/mol. IUPAC: ethyl 2-methyl-5-(4-methyl-3-nitrobenzoyl)oxy-1-phenylindole-3-carboxylate.
Chemical Property Profile of ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate
Property Insights of ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate
The XLogP value of 5.55144 indicates that ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate 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 ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate 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 ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate?
The CAS number of ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate is 391862-16-1.
What is the molecular formula of ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate is C26H22N2O6.
What is the molecular weight of ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate is 458.15 g/mol.
Where can I buy ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-methyl-5-((4-methyl-3-nitrobenzoyl)oxy)-1-phenyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.