Diethyl allylisobutylmalonate
TL;DR: Diethyl allylisobutylmalonate (CAS 59726-40-8) is a chemical compound with molecular formula C14H24O4 and molecular weight 256.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-methylpropyl)-2-prop-2-enylpropanedioate
Also Known As: Diethyl allylisobutylmalonate, Bismuthsubcarbonate, Butalbital Impurity 2, Butalbital Impurity 6, diethylallylisobutylmalonate
| Molecular Formula | C14H24O4 |
|---|---|
| Molecular Weight | 256.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 256.16745 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 59726-40-8 |
|---|---|
| SMILES | CCOC(=O)C(CC=C)(CC(C)C)C(=O)OCC |
| InChIKey | QCQKKJOWCKVCLE-UHFFFAOYSA-N |
Product Overview
Diethyl allylisobutylmalonate (CAS 59726-40-8), with molecular formula C14H24O4 and molecular weight 256.17 g/mol. IUPAC: diethyl 2-(2-methylpropyl)-2-prop-2-enylpropanedioate.
Chemical Property Profile of Diethyl allylisobutylmalonate
Property Insights of Diethyl allylisobutylmalonate
The XLogP value of 3.5 indicates that Diethyl allylisobutylmalonate 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 allylisobutylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl allylisobutylmalonate 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 allylisobutylmalonate?
The CAS number of Diethyl allylisobutylmalonate is 59726-40-8.
What is the molecular formula of Diethyl allylisobutylmalonate?
The molecular formula of Diethyl allylisobutylmalonate is C14H24O4.
What is the molecular weight of Diethyl allylisobutylmalonate?
The molecular weight of Diethyl allylisobutylmalonate is 256.17 g/mol.
Where can I buy Diethyl allylisobutylmalonate?
You can request a quote for Diethyl allylisobutylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl allylisobutylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl allylisobutylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.