Diallyl itaconate
TL;DR: Diallyl itaconate (CAS 2767-99-9) is a chemical compound with molecular formula C11H14O4 and molecular weight 210.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) 2-methylidenebutanedioate
Also Known As: Diallyl itaconate, diallylitaconat, diallyl 2-methylenesuccinate, Itaconic acid diallyl ester, Succinic acid, diallyl ester
| Molecular Formula | C11H14O4 |
|---|---|
| Molecular Weight | 210.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 210.0892 |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 2767-99-9 |
|---|---|
| SMILES | C=CCOC(=O)CC(=C)C(=O)OCC=C |
| InChIKey | LOFFYVIZWSPGIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl itaconate (CAS 2767-99-9), with molecular formula C11H14O4 and molecular weight 210.09 g/mol. IUPAC: bis(prop-2-enyl) 2-methylidenebutanedioate.
Chemical Property Profile of Diallyl itaconate
Property Insights of Diallyl itaconate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl itaconate. With a topological polar surface area (TPSA) of 52.6 Ų, Diallyl itaconate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl itaconate 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 itaconate?
The CAS number of Diallyl itaconate is 2767-99-9.
What is the molecular formula of Diallyl itaconate?
The molecular formula of Diallyl itaconate is C11H14O4.
What is the molecular weight of Diallyl itaconate?
The molecular weight of Diallyl itaconate is 210.09 g/mol.
Where can I buy Diallyl itaconate?
You can request a quote for Diallyl itaconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl itaconate?
Yes, KEHONG BIO provides custom synthesis services for Diallyl itaconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.