Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
TL;DR: Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate (CAS 41167-36-6) is a chemical compound with molecular formula C22H22O5 and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
Also Known As: dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate, AB01326539-02, dimethyl4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate, A2509/0106614, dimethyl 4-oxo-2,6-diphenyl-1,1-cyclohexanedicarboxylate
| Molecular Formula | C22H22O5 |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 3.2493 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.14673 |
| Heavy Atoms | 27 |
| Complexity | 758.7963 |
Chemical Identifiers
| CAS Number | 41167-36-6 |
|---|---|
| SMILES | COC(=O)C1(C(CC(=O)CC1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC |
Product Overview
Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate (CAS 41167-36-6), with molecular formula C22H22O5 and molecular weight 366.15 g/mol. IUPAC: dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate.
Chemical Property Profile of Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
Property Insights of Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate
The XLogP value of 3.2493 indicates that Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4-oxo-2,6-diphenylcyclohexane-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 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate?
The CAS number of Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate is 41167-36-6.
What is the molecular formula of Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate?
The molecular formula of Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate is C22H22O5.
What is the molecular weight of Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate?
The molecular weight of Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate is 366.15 g/mol.
Where can I buy Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate?
You can request a quote for Dimethyl 4-oxo-2,6-diphenylcyclohexane-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 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-oxo-2,6-diphenylcyclohexane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.