Bis(1-methylheptyl) 2-butenedioate
TL;DR: Bis(1-methylheptyl) 2-butenedioate (CAS 56970-73-1) is a chemical compound with molecular formula C20H36O4 and molecular weight 340.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dioctan-2-yl (E)-but-2-enedioate
Also Known As: di-2-octyl maleate, di-(octan-2-yl) fumarate, Bis(1-methylheptyl) 2-butenedioate, dioctan-2-yl but-2-enedioate, Fumaric acid, di(2-octyl) ester
| Molecular Formula | C20H36O4 |
|---|---|
| Molecular Weight | 340.26 g/mol |
| LogP | 5.3468 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 340.26135 |
| Heavy Atoms | 24 |
| Complexity | 328.65036 |
Chemical Identifiers
| CAS Number | 56970-73-1 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)/C=C/C(=O)OC(C)CCCCCC |
Product Overview
Bis(1-methylheptyl) 2-butenedioate (CAS 56970-73-1), with molecular formula C20H36O4 and molecular weight 340.26 g/mol. IUPAC: dioctan-2-yl (E)-but-2-enedioate.
Chemical Property Profile of Bis(1-methylheptyl) 2-butenedioate
Property Insights of Bis(1-methylheptyl) 2-butenedioate
The XLogP value of 5.3468 indicates that Bis(1-methylheptyl) 2-butenedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(1-methylheptyl) 2-butenedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1-methylheptyl) 2-butenedioate 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 Bis(1-methylheptyl) 2-butenedioate?
The CAS number of Bis(1-methylheptyl) 2-butenedioate is 56970-73-1.
What is the molecular formula of Bis(1-methylheptyl) 2-butenedioate?
The molecular formula of Bis(1-methylheptyl) 2-butenedioate is C20H36O4.
What is the molecular weight of Bis(1-methylheptyl) 2-butenedioate?
The molecular weight of Bis(1-methylheptyl) 2-butenedioate is 340.26 g/mol.
Where can I buy Bis(1-methylheptyl) 2-butenedioate?
You can request a quote for Bis(1-methylheptyl) 2-butenedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-methylheptyl) 2-butenedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-methylheptyl) 2-butenedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.