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Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate
TL;DR: Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate (CAS 392242-59-0) is a chemical compound with molecular formula C29H21N3O8 and molecular weight 539.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate
Also Known As: F0326-0441, ethyl 5-(3,5-dinitrobenzoyloxy)-2-methyl-1-phenyl-1H-benzo[g]indole-3-carboxylate, ethyl 5-((3,5-dinitrobenzoyl)oxy)-2-methyl-1-phenyl-1H-benzo[g]indole-3-carboxylate, ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate
| Molecular Formula | C29H21N3O8 |
|---|---|
| Molecular Weight | 539.13 g/mol |
| LogP | 6.30442 |
| Topological Polar Surface Area | 143.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 539.1329 |
| Heavy Atoms | 40 |
| Complexity | 1811.2933 |
Chemical Identifiers
| CAS Number | 392242-59-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)OC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5)C |
Product Overview
Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate (CAS 392242-59-0), with molecular formula C29H21N3O8 and molecular weight 539.13 g/mol. IUPAC: ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate
Property Insights of Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate
The XLogP value of 6.30442 indicates that Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.81 Ų indicates high polarity, suggesting Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate?
The CAS number of Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate is 392242-59-0.
What is the molecular formula of Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate?
The molecular formula of Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate is C29H21N3O8.
What is the molecular weight of Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate?
The molecular weight of Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate is 539.13 g/mol.
Where can I buy Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate?
You can request a quote for Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]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 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(3,5-dinitrobenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.