Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate
TL;DR: Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate (CAS 85187-21-9) is a chemical compound with molecular formula C17H30O4 and molecular weight 298.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(2,2,3-trimethylcyclopentyl)ethyl]propanedioate
Also Known As: diethyl[2- ethyl]malonate, EINECS 286-109-6, Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate, diethyl 2-[2-(2,2,3-trimethylcyclopentyl)ethyl]propanedioate, Diethyl [2-(2,2,3-trimethylcyclopentyl)ethyl]malonate
| Molecular Formula | C17H30O4 |
|---|---|
| Molecular Weight | 298.21 g/mol |
| LogP | 3.5813 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.21442 |
| Heavy Atoms | 21 |
| Complexity | 343.8016 |
Chemical Identifiers
| CAS Number | 85187-21-9 |
|---|---|
| SMILES | CCOC(=O)C(CCC1CCC(C1(C)C)C)C(=O)OCC |
Product Overview
Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate (CAS 85187-21-9), with molecular formula C17H30O4 and molecular weight 298.21 g/mol. IUPAC: diethyl 2-[2-(2,2,3-trimethylcyclopentyl)ethyl]propanedioate.
Chemical Property Profile of Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate
Property Insights of Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate
The XLogP value of 3.5813 indicates that Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate 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-(2,2,3-trimethylcyclopentyl)ethyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate has 0 hydrogen bond donor(s) and 4 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 Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate?
The CAS number of Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate is 85187-21-9.
What is the molecular formula of Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate?
The molecular formula of Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate is C17H30O4.
What is the molecular weight of Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate?
The molecular weight of Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate is 298.21 g/mol.
Where can I buy Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate?
You can request a quote for Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-(2,2,3-trimethylcyclopentyl)ethyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.