Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate
TL;DR: Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate (CAS 333759-11-8) is a chemical compound with molecular formula C22H21NO7 and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate
Also Known As: BAS 03148475, dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate, 2-Benzoyl-2-ethyl-3-(3-nitro-phenyl)-cyclopropane-1,1-dicarboxylic acid dimethyl ester, dimethyl 2-ethyl-3-(3-nitrophenyl)-2-(phenylcarbonyl)cyclopropane-1,1-dicarboxylate, methyl 2-ethyl-1-(methoxycarbonyl)-3-(3-nitrophenyl)-2-(phenylcarbonyl)cyclopr opanecarboxylate
| Molecular Formula | C22H21NO7 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.3037 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.1318 |
| Heavy Atoms | 30 |
| Complexity | 1001.15594 |
Chemical Identifiers
| CAS Number | 333759-11-8 |
|---|---|
| SMILES | CCC1(C(C1(C(=O)OC)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 |
Product Overview
Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate (CAS 333759-11-8), with molecular formula C22H21NO7 and molecular weight 411.13 g/mol. IUPAC: dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate.
Chemical Property Profile of Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate
Property Insights of Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate
The XLogP value of 3.3037 indicates that Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The CAS number of Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate is 333759-11-8.
What is the molecular formula of Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The molecular formula of Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate is C22H21NO7.
What is the molecular weight of Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The molecular weight of Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate is 411.13 g/mol.
Where can I buy Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate?
You can request a quote for Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-benzoyl-2-ethyl-3-(3-nitrophenyl)cyclopropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.