Dinonyl but-2-enedioate
TL;DR: Dinonyl but-2-enedioate (CAS 2787-63-5) is a chemical compound with molecular formula C22H40O4 and molecular weight 368.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dinonyl but-2-enedioate
Also Known As: Dinonyl fumarate, 2-Butenedioic acid(2E)-, dinonyl ester (9CI), 2-Butenedioic acid(2Z)-, dinonyl ester (9CI)
| Molecular Formula | C22H40O4 |
|---|---|
| Molecular Weight | 368.29 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 368.29266 |
| Heavy Atoms | 26 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 2787-63-5 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCC |
| InChIKey | PQJYOOFQDXGDDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dinonyl but-2-enedioate (CAS 2787-63-5), with molecular formula C22H40O4 and molecular weight 368.29 g/mol. IUPAC: dinonyl but-2-enedioate.
Chemical Property Profile of Dinonyl but-2-enedioate
Property Insights of Dinonyl but-2-enedioate
The XLogP value of 8.1 indicates that Dinonyl but-2-enedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dinonyl but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dinonyl but-2-enedioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dinonyl but-2-enedioate?
The CAS number of Dinonyl but-2-enedioate is 2787-63-5.
What is the molecular formula of Dinonyl but-2-enedioate?
The molecular formula of Dinonyl but-2-enedioate is C22H40O4.
What is the molecular weight of Dinonyl but-2-enedioate?
The molecular weight of Dinonyl but-2-enedioate is 368.29 g/mol.
Where can I buy Dinonyl but-2-enedioate?
You can request a quote for Dinonyl 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 Dinonyl but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dinonyl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.