diheptadecyl (E)-but-2-enedioate
TL;DR: diheptadecyl (E)-but-2-enedioate (CAS 68921-52-8) is a chemical compound with molecular formula C38H72O4 and molecular weight 592.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diheptadecyl (E)-but-2-enedioate
Also Known As: (C16-C18)Dialkyl fumarate, Fumaric acid diheptadecyl ester, EINECS 272-944-3, diheptadecyl (E)-but-2-enedioate, EC 272-944-3
| Molecular Formula | C38H72O4 |
|---|---|
| Molecular Weight | 592.54 g/mol |
| LogP | 12.3718 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 34 |
| Exact Mass | 592.5431 |
| Heavy Atoms | 42 |
| Complexity | 535.6435 |
Chemical Identifiers
| CAS Number | 68921-52-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCCCCC |
Product Overview
diheptadecyl (E)-but-2-enedioate (CAS 68921-52-8), with molecular formula C38H72O4 and molecular weight 592.54 g/mol. IUPAC: diheptadecyl (E)-but-2-enedioate.
Chemical Property Profile of diheptadecyl (E)-but-2-enedioate
Property Insights of diheptadecyl (E)-but-2-enedioate
The XLogP value of 12.3718 indicates that diheptadecyl (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, diheptadecyl (E)-but-2-enedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diheptadecyl (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 diheptadecyl (E)-but-2-enedioate?
The CAS number of diheptadecyl (E)-but-2-enedioate is 68921-52-8.
What is the molecular formula of diheptadecyl (E)-but-2-enedioate?
The molecular formula of diheptadecyl (E)-but-2-enedioate is C38H72O4.
What is the molecular weight of diheptadecyl (E)-but-2-enedioate?
The molecular weight of diheptadecyl (E)-but-2-enedioate is 592.54 g/mol.
Where can I buy diheptadecyl (E)-but-2-enedioate?
You can request a quote for diheptadecyl (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 diheptadecyl (E)-but-2-enedioate?
Yes, KEHONG BIO provides custom synthesis services for diheptadecyl (E)-but-2-enedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.