Diethyl 2-ethyl-2-(p-tolyl)malonate
TL;DR: Diethyl 2-ethyl-2-(p-tolyl)malonate (CAS 68692-80-8) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-(4-methylphenyl)propanedioate
Also Known As: Diethyl 2-ethyl-2-(p-tolyl)malonate, 3-Ethyl-2-methyl-3-pentanol, EINECS 272-082-8, Diethyl2-ethyl-2-(p-tolyl)malonate, diethyl 2-ethyl-2-(4-methylphenyl)propanedioate
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 2.76902 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 443.87015 |
Chemical Identifiers
| CAS Number | 68692-80-8 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)C)(C(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 2-ethyl-2-(p-tolyl)malonate (CAS 68692-80-8), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: diethyl 2-ethyl-2-(4-methylphenyl)propanedioate.
Chemical Property Profile of Diethyl 2-ethyl-2-(p-tolyl)malonate
Property Insights of Diethyl 2-ethyl-2-(p-tolyl)malonate
The XLogP value of 2.76902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-ethyl-2-(p-tolyl)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 2-ethyl-2-(p-tolyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-ethyl-2-(p-tolyl)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-ethyl-2-(p-tolyl)malonate?
The CAS number of Diethyl 2-ethyl-2-(p-tolyl)malonate is 68692-80-8.
What is the molecular formula of Diethyl 2-ethyl-2-(p-tolyl)malonate?
The molecular formula of Diethyl 2-ethyl-2-(p-tolyl)malonate is C16H22O4.
What is the molecular weight of Diethyl 2-ethyl-2-(p-tolyl)malonate?
The molecular weight of Diethyl 2-ethyl-2-(p-tolyl)malonate is 278.15 g/mol.
Where can I buy Diethyl 2-ethyl-2-(p-tolyl)malonate?
You can request a quote for Diethyl 2-ethyl-2-(p-tolyl)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-ethyl-2-(p-tolyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-ethyl-2-(p-tolyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.