2-Butenedioic acid (2Z)-, diisononyl ester
TL;DR: 2-Butenedioic acid (2Z)-, diisononyl ester (CAS 53817-54-2) 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.
bis(7-methyloctyl) but-2-enedioate
Also Known As: 2-Butenedioic acid (2Z)-, diisononyl ester
| Molecular Formula | C22H40O4 |
|---|---|
| Molecular Weight | 368.29 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 368.29266 |
| Heavy Atoms | 26 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 53817-54-2 |
|---|---|
| SMILES | CC(C)CCCCCCOC(=O)C=CC(=O)OCCCCCCC(C)C |
| InChIKey | CBWMVXMQKDYZDQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenedioic acid (2Z)-, diisononyl ester (CAS 53817-54-2), with molecular formula C22H40O4 and molecular weight 368.29 g/mol. IUPAC: bis(7-methyloctyl) but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid (2Z)-, diisononyl ester
Property Insights of 2-Butenedioic acid (2Z)-, diisononyl ester
The XLogP value of 7.5 indicates that 2-Butenedioic acid (2Z)-, diisononyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Butenedioic acid (2Z)-, diisononyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenedioic acid (2Z)-, diisononyl ester 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 2-Butenedioic acid (2Z)-, diisononyl ester?
The CAS number of 2-Butenedioic acid (2Z)-, diisononyl ester is 53817-54-2.
What is the molecular formula of 2-Butenedioic acid (2Z)-, diisononyl ester?
The molecular formula of 2-Butenedioic acid (2Z)-, diisononyl ester is C22H40O4.
What is the molecular weight of 2-Butenedioic acid (2Z)-, diisononyl ester?
The molecular weight of 2-Butenedioic acid (2Z)-, diisononyl ester is 368.29 g/mol.
Where can I buy 2-Butenedioic acid (2Z)-, diisononyl ester?
You can request a quote for 2-Butenedioic acid (2Z)-, diisononyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid (2Z)-, diisononyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2Z)-, diisononyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.