Diallyl but-2-enedioate
TL;DR: Diallyl but-2-enedioate (CAS 999-21-3) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) but-2-enedioate
Also Known As: Diallyl maleate, Diallyl fumarate, Sipomer DAM, diallyl but-2-enedioate, Diallyl maleate, 97%
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 999-21-3 |
|---|---|
| SMILES | C=CCOC(=O)C=CC(=O)OCC=C |
| InChIKey | ZPOLOEWJWXZUSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl but-2-enedioate (CAS 999-21-3), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: bis(prop-2-enyl) but-2-enedioate.
Chemical Property Profile of Diallyl but-2-enedioate
Property Insights of Diallyl but-2-enedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl but-2-enedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Diallyl but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl but-2-enedioate 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 but-2-enedioate?
The CAS number of Diallyl but-2-enedioate is 999-21-3.
What is the molecular formula of Diallyl but-2-enedioate?
The molecular formula of Diallyl but-2-enedioate is C10H12O4.
What is the molecular weight of Diallyl but-2-enedioate?
The molecular weight of Diallyl but-2-enedioate is 196.07 g/mol.
Where can I buy Diallyl but-2-enedioate?
You can request a quote for Diallyl but-2-enedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.