Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
TL;DR: Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate (CAS 335211-15-9) 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-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
Also Known As: BAS 02800908, dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate, A2479/0105354, dimethyl 2-benzoyl-2-ethyl-3-{4-nitrophenyl}cyclopropane-1,1-dicarboxylate, 1,1-DIMETHYL 2-BENZOYL-2-ETHYL-3-(4-NITROPHENYL)CYCLOPROPANE-1,1-DICARBOXYLATE
| Molecular Formula | C22H21NO7 |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 411.1318 |
| Heavy Atoms | 30 |
| Complexity | 685.0 |
Chemical Identifiers
| CAS Number | 335211-15-9 |
|---|---|
| SMILES | CCC1(C(C1(C(=O)OC)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 |
| InChIKey | IZPUYYLMWMIFCM-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate (CAS 335211-15-9), with molecular formula C22H21NO7 and molecular weight 411.13 g/mol. IUPAC: dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate.
Chemical Property Profile of Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
Property Insights of Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
The XLogP value of 3.4 indicates that Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-benzoyl-2-ethyl-3-(4-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-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The CAS number of Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate is 335211-15-9.
What is the molecular formula of Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The molecular formula of Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate is C22H21NO7.
What is the molecular weight of Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The molecular weight of Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate is 411.13 g/mol.
Where can I buy Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
You can request a quote for Dimethyl 2-benzoyl-2-ethyl-3-(4-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-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-benzoyl-2-ethyl-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.