Diallyl malonate
TL;DR: Diallyl malonate (CAS 1797-75-7) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) propanedioate
Also Known As: DIALLYL MALONATE, Diallyl=malonate, diallyl propanedioate, bis(prop-2-enyl) propanedioate, malonic acid diallyl ester
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 1797-75-7 |
|---|---|
| SMILES | C=CCOC(=O)CC(=O)OCC=C |
| InChIKey | AOESAXAWXYJFNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl malonate (CAS 1797-75-7), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: bis(prop-2-enyl) propanedioate.
Chemical Property Profile of Diallyl malonate
Property Insights of Diallyl malonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diallyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl 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 Diallyl malonate?
The CAS number of Diallyl malonate is 1797-75-7.
What is the molecular formula of Diallyl malonate?
The molecular formula of Diallyl malonate is C9H12O4.
What is the molecular weight of Diallyl malonate?
The molecular weight of Diallyl malonate is 184.07 g/mol.
Where can I buy Diallyl malonate?
You can request a quote for Diallyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl malonate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.