Fumaric acid, diheptyl ester
TL;DR: Fumaric acid, diheptyl ester (CAS 20314-73-2) is a chemical compound with molecular formula C18H32O4 and molecular weight 312.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diheptyl (E)-but-2-enedioate
Also Known As: Fumaric acid diheptyl ester, Fumaric acid, diheptyl ester, diheptyl (E)-but-2-enedioate, 1,4-diheptyl (2E)-but-2-enedioate, 2-Butenedioic acid (2E)-, 1,4-diheptyl ester
| Molecular Formula | C18H32O4 |
|---|---|
| Molecular Weight | 312.23 g/mol |
| LogP | 4.5698 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 312.23007 |
| Heavy Atoms | 22 |
| Complexity | 280.209 |
Chemical Identifiers
| CAS Number | 20314-73-2 |
|---|---|
| SMILES | CCCCCCCOC(=O)/C=C/C(=O)OCCCCCCC |
Product Overview
Fumaric acid, diheptyl ester (CAS 20314-73-2), with molecular formula C18H32O4 and molecular weight 312.23 g/mol. IUPAC: diheptyl (E)-but-2-enedioate.
Chemical Property Profile of Fumaric acid, diheptyl ester
Property Insights of Fumaric acid, diheptyl ester
The XLogP value of 4.5698 indicates that Fumaric acid, diheptyl 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, Fumaric acid, diheptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fumaric acid, diheptyl ester 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 Fumaric acid, diheptyl ester?
The CAS number of Fumaric acid, diheptyl ester is 20314-73-2.
What is the molecular formula of Fumaric acid, diheptyl ester?
The molecular formula of Fumaric acid, diheptyl ester is C18H32O4.
What is the molecular weight of Fumaric acid, diheptyl ester?
The molecular weight of Fumaric acid, diheptyl ester is 312.23 g/mol.
Where can I buy Fumaric acid, diheptyl ester?
You can request a quote for Fumaric acid, diheptyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fumaric acid, diheptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Fumaric acid, diheptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.