Diethyl ethyl(phenylthio)malonate
TL;DR: Diethyl ethyl(phenylthio)malonate (CAS 42798-11-8) is a chemical compound with molecular formula C15H20O4S and molecular weight 296.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-ethyl-2-phenylsulfanylpropanedioate
Also Known As: Diethyl ethyl(phenylthio)malonate, EINECS 255-946-9, diethyl 2-ethyl-2-phenylsulfanylpropanedioate, Diethyl ethyl(phenylsulfanyl)propanedioate, Ethyl(phenylthio)malonic acid diethyl ester
| Molecular Formula | C15H20O4S |
|---|---|
| Molecular Weight | 296.11 g/mol |
| LogP | 3.0537 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.10822 |
| Heavy Atoms | 20 |
| Complexity | 426.44656 |
Chemical Identifiers
| CAS Number | 42798-11-8 |
|---|---|
| SMILES | CCC(C(=O)OCC)(C(=O)OCC)SC1=CC=CC=C1 |
Product Overview
Diethyl ethyl(phenylthio)malonate (CAS 42798-11-8), with molecular formula C15H20O4S and molecular weight 296.11 g/mol. IUPAC: diethyl 2-ethyl-2-phenylsulfanylpropanedioate.
Chemical Property Profile of Diethyl ethyl(phenylthio)malonate
Property Insights of Diethyl ethyl(phenylthio)malonate
The XLogP value of 3.0537 indicates that Diethyl ethyl(phenylthio)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 ethyl(phenylthio)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethyl(phenylthio)malonate 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 Diethyl ethyl(phenylthio)malonate?
The CAS number of Diethyl ethyl(phenylthio)malonate is 42798-11-8.
What is the molecular formula of Diethyl ethyl(phenylthio)malonate?
The molecular formula of Diethyl ethyl(phenylthio)malonate is C15H20O4S.
What is the molecular weight of Diethyl ethyl(phenylthio)malonate?
The molecular weight of Diethyl ethyl(phenylthio)malonate is 296.11 g/mol.
Where can I buy Diethyl ethyl(phenylthio)malonate?
You can request a quote for Diethyl ethyl(phenylthio)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethyl(phenylthio)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethyl(phenylthio)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.