dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
TL;DR: dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate (CAS 433964-95-5) is a chemical compound with molecular formula C22H20FNO7 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
Also Known As: dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate, dimethyl 2-ethyl-2-[(4-fluorophenyl)carbonyl]-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
| Molecular Formula | C22H20FNO7 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 3.4428 |
| Topological Polar Surface Area | 112.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.12238 |
| Heavy Atoms | 31 |
| Complexity | 1032.534 |
Chemical Identifiers
| CAS Number | 433964-95-5 |
|---|---|
| SMILES | CCC1(C(C1(C(=O)OC)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F |
Product Overview
dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate (CAS 433964-95-5), with molecular formula C22H20FNO7 and molecular weight 429.12 g/mol. IUPAC: dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate.
Chemical Property Profile of dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
Property Insights of dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate
The XLogP value of 3.4428 indicates that dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-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-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-ethyl-2-(4-fluorobenzoyl)-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-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The CAS number of dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate is 433964-95-5.
What is the molecular formula of dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The molecular formula of dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate is C22H20FNO7.
What is the molecular weight of dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
The molecular weight of dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate is 429.12 g/mol.
Where can I buy dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
You can request a quote for dimethyl 2-ethyl-2-(4-fluorobenzoyl)-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-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-ethyl-2-(4-fluorobenzoyl)-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.