Diethyl 2-cycloheptyl-2-phenylpropanedioate
TL;DR: Diethyl 2-cycloheptyl-2-phenylpropanedioate (CAS 5452-38-0) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cycloheptyl-2-phenylpropanedioate
Also Known As: diethyl 2-cycloheptyl-2-phenylpropanedioate, Diethyl cycloheptyl(phenyl)propanedioate
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 5452-38-0 |
|---|---|
| SMILES | CCOC(=O)C(C1CCCCCC1)(C2=CC=CC=C2)C(=O)OCC |
| InChIKey | SYOQJSJNDZZPHI-UHFFFAOYSA-N |
Product Overview
Diethyl 2-cycloheptyl-2-phenylpropanedioate (CAS 5452-38-0), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: diethyl 2-cycloheptyl-2-phenylpropanedioate.
Chemical Property Profile of Diethyl 2-cycloheptyl-2-phenylpropanedioate
Property Insights of Diethyl 2-cycloheptyl-2-phenylpropanedioate
The XLogP value of 5.7 indicates that Diethyl 2-cycloheptyl-2-phenylpropanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-cycloheptyl-2-phenylpropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-cycloheptyl-2-phenylpropanedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 2-cycloheptyl-2-phenylpropanedioate?
The CAS number of Diethyl 2-cycloheptyl-2-phenylpropanedioate is 5452-38-0.
What is the molecular formula of Diethyl 2-cycloheptyl-2-phenylpropanedioate?
The molecular formula of Diethyl 2-cycloheptyl-2-phenylpropanedioate is C20H28O4.
What is the molecular weight of Diethyl 2-cycloheptyl-2-phenylpropanedioate?
The molecular weight of Diethyl 2-cycloheptyl-2-phenylpropanedioate is 332.20 g/mol.
Where can I buy Diethyl 2-cycloheptyl-2-phenylpropanedioate?
You can request a quote for Diethyl 2-cycloheptyl-2-phenylpropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-cycloheptyl-2-phenylpropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-cycloheptyl-2-phenylpropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.