Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate
TL;DR: Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate (CAS 299918-98-2) is a chemical compound with molecular formula C22H21BrO5 and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate
Also Known As: ChemDiv1_027855, A2148/0090238, dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate, Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethyl-1,1-cyclopropanedicarboxylate, 1,1-DIMETHYL 2-BENZOYL-3-(4-BROMOPHENYL)-2-ETHYLCYCLOPROPANE-1,1-DICARBOXYLATE
| Molecular Formula | C22H21BrO5 |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.05725 |
| Heavy Atoms | 28 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 299918-98-2 |
|---|---|
| SMILES | CCC1(C(C1(C(=O)OC)C(=O)OC)C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3 |
| InChIKey | CSUOQOAYHSWOFO-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate (CAS 299918-98-2), with molecular formula C22H21BrO5 and molecular weight 444.06 g/mol. IUPAC: dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate.
Chemical Property Profile of Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate
Property Insights of Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate
The XLogP value of 4.3 indicates that Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate has 0 hydrogen bond donor(s) and 5 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-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate?
The CAS number of Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate is 299918-98-2.
What is the molecular formula of Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate?
The molecular formula of Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate is C22H21BrO5.
What is the molecular weight of Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate?
The molecular weight of Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate is 444.06 g/mol.
Where can I buy Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate?
You can request a quote for Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-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-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.