dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate
TL;DR: dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate (CAS 7596-81-8) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate
Also Known As: dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate, dimethyl 2-(benzoyl)-3-phenylcyclopropane-1,1-dicarboxylate, RefChem:357156
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 7596-81-8 |
|---|---|
| SMILES | COC(=O)C1(C(C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC |
| InChIKey | FGAIUQYDWXTGLL-UHFFFAOYSA-N |
Product Overview
dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate (CAS 7596-81-8), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate.
Chemical Property Profile of dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate
Property Insights of dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-benzoyl-3-phenylcyclopropane-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-phenylcyclopropane-1,1-dicarboxylate?
The CAS number of dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate is 7596-81-8.
What is the molecular formula of dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate?
The molecular formula of dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate is C20H18O5.
What is the molecular weight of dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate?
The molecular weight of dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate is 338.12 g/mol.
Where can I buy dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate?
You can request a quote for dimethyl 2-benzoyl-3-phenylcyclopropane-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-phenylcyclopropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-benzoyl-3-phenylcyclopropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.