Diethyl allylmalonate
TL;DR: Diethyl allylmalonate (CAS 2049-80-1) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-prop-2-enylpropanedioate
Also Known As: Diethyl allylmalonate, Ethyl allylmalonate, Diethyl 2-allylmalonate, Isopentylbenzene, Allylmalonic acid diethyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 2049-80-1 |
|---|---|
| SMILES | CCOC(=O)C(CC=C)C(=O)OCC |
| InChIKey | GDWAYKGILJJNBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl allylmalonate (CAS 2049-80-1), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: diethyl 2-prop-2-enylpropanedioate.
Chemical Property Profile of Diethyl allylmalonate
Property Insights of Diethyl allylmalonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl allylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl allylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl allylmalonate 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 allylmalonate?
The CAS number of Diethyl allylmalonate is 2049-80-1.
What is the molecular formula of Diethyl allylmalonate?
The molecular formula of Diethyl allylmalonate is C10H16O4.
What is the molecular weight of Diethyl allylmalonate?
The molecular weight of Diethyl allylmalonate is 200.10 g/mol.
Where can I buy Diethyl allylmalonate?
You can request a quote for Diethyl allylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl allylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl allylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.