4-O-octadecyl 1-O-octyl (E)-but-2-enedioate
TL;DR: 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate (CAS 68921-54-0) is a chemical compound with molecular formula C30H56O4 and molecular weight 480.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-octadecyl 1-O-octyl (E)-but-2-enedioate
Also Known As: C8,(C16-C18)Dialkyl fumarate, 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate, 2-Butenedioic acid (2E)-, mixed C8 and C16-18-alkyl esters
| Molecular Formula | C30H56O4 |
|---|---|
| Molecular Weight | 480.42 g/mol |
| LogP | 9.251 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 26 |
| Exact Mass | 480.41785 |
| Heavy Atoms | 34 |
| Complexity | 472.42578 |
Chemical Identifiers
| CAS Number | 68921-54-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCC |
Product Overview
4-O-octadecyl 1-O-octyl (E)-but-2-enedioate (CAS 68921-54-0), with molecular formula C30H56O4 and molecular weight 480.42 g/mol. IUPAC: 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate.
Chemical Property Profile of 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate
Property Insights of 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate
The XLogP value of 9.251 indicates that 4-O-octadecyl 1-O-octyl (E)-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, 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-O-octadecyl 1-O-octyl (E)-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 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate?
The CAS number of 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate is 68921-54-0.
What is the molecular formula of 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate?
The molecular formula of 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate is C30H56O4.
What is the molecular weight of 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate?
The molecular weight of 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate is 480.42 g/mol.
Where can I buy 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate?
You can request a quote for 4-O-octadecyl 1-O-octyl (E)-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 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-O-octadecyl 1-O-octyl (E)-but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.