Dihexyl but-2-enedioate
TL;DR: Dihexyl but-2-enedioate (CAS 19139-31-2) is a chemical compound with molecular formula C16H28O4 and molecular weight 284.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dihexyl but-2-enedioate
Also Known As: Dihexyl fumarate, dihexyl but-2-enedioate, di-n-Hexyl fumarate, DI-n-HEXYLMALEATE, maleic acid dihexyl ester
| Molecular Formula | C16H28O4 |
|---|---|
| Molecular Weight | 284.20 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 284.19876 |
| Heavy Atoms | 20 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 19139-31-2 |
|---|---|
| SMILES | CCCCCCOC(=O)C=CC(=O)OCCCCCC |
| InChIKey | QMCVOSQFZZCSLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dihexyl but-2-enedioate (CAS 19139-31-2), with molecular formula C16H28O4 and molecular weight 284.20 g/mol. IUPAC: dihexyl but-2-enedioate.
Chemical Property Profile of Dihexyl but-2-enedioate
Property Insights of Dihexyl but-2-enedioate
The XLogP value of 4.9 indicates that Dihexyl 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, Dihexyl but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihexyl 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 Dihexyl but-2-enedioate?
The CAS number of Dihexyl but-2-enedioate is 19139-31-2.
What is the molecular formula of Dihexyl but-2-enedioate?
The molecular formula of Dihexyl but-2-enedioate is C16H28O4.
What is the molecular weight of Dihexyl but-2-enedioate?
The molecular weight of Dihexyl but-2-enedioate is 284.20 g/mol.
Where can I buy Dihexyl but-2-enedioate?
You can request a quote for Dihexyl 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 Dihexyl but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for Dihexyl but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.