Diethyl cycloheptyl(hexyl)propanedioate
TL;DR: Diethyl cycloheptyl(hexyl)propanedioate (CAS 92315-48-5) is a chemical compound with molecular formula C20H36O4 and molecular weight 340.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-cycloheptyl-2-hexylpropanedioate
Also Known As: diethyl cycloheptyl(hexyl)propanedioate, diethyl2-cycloheptyl-2-hexyl-propanedioate, diethyl 2-cycloheptyl-2-hexylpropanedioate, Propanedioic acid,2-cycloheptyl-2-hexyl-, 1,3-diethyl ester
| Molecular Formula | C20H36O4 |
|---|---|
| Molecular Weight | 340.26 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 340.26135 |
| Heavy Atoms | 24 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 92315-48-5 |
|---|---|
| SMILES | CCCCCCC(C1CCCCCC1)(C(=O)OCC)C(=O)OCC |
| InChIKey | UDFCADLIIOUFNK-UHFFFAOYSA-N |
Product Overview
Diethyl cycloheptyl(hexyl)propanedioate (CAS 92315-48-5), with molecular formula C20H36O4 and molecular weight 340.26 g/mol. IUPAC: diethyl 2-cycloheptyl-2-hexylpropanedioate.
Chemical Property Profile of Diethyl cycloheptyl(hexyl)propanedioate
Property Insights of Diethyl cycloheptyl(hexyl)propanedioate
The XLogP value of 7.1 indicates that Diethyl cycloheptyl(hexyl)propanedioate 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 cycloheptyl(hexyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl cycloheptyl(hexyl)propanedioate 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 cycloheptyl(hexyl)propanedioate?
The CAS number of Diethyl cycloheptyl(hexyl)propanedioate is 92315-48-5.
What is the molecular formula of Diethyl cycloheptyl(hexyl)propanedioate?
The molecular formula of Diethyl cycloheptyl(hexyl)propanedioate is C20H36O4.
What is the molecular weight of Diethyl cycloheptyl(hexyl)propanedioate?
The molecular weight of Diethyl cycloheptyl(hexyl)propanedioate is 340.26 g/mol.
Where can I buy Diethyl cycloheptyl(hexyl)propanedioate?
You can request a quote for Diethyl cycloheptyl(hexyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl cycloheptyl(hexyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl cycloheptyl(hexyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.