2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester
TL;DR: 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester (CAS 3294-12-0) 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.
bis(4-methylpentyl) (E)-but-2-enedioate
Also Known As: Diisohexyl fumarate, Dimidazon, Fumaric acid diisohexyl ester, Fumaric acid, diisohexyl ester, bis(4-methylpentyl) but-2-enedioate
| Molecular Formula | C16H28O4 |
|---|---|
| Molecular Weight | 284.20 g/mol |
| LogP | 3.5014 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 284.19876 |
| Heavy Atoms | 20 |
| Complexity | 275.59872 |
Chemical Identifiers
| CAS Number | 3294-12-0 |
|---|---|
| SMILES | CC(C)CCCOC(=O)/C=C/C(=O)OCCCC(C)C |
Product Overview
2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester (CAS 3294-12-0), with molecular formula C16H28O4 and molecular weight 284.20 g/mol. IUPAC: bis(4-methylpentyl) (E)-but-2-enedioate.
Chemical Property Profile of 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester
Property Insights of 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester
The XLogP value of 3.5014 indicates that 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) 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, 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) 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 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester?
The CAS number of 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester is 3294-12-0.
What is the molecular formula of 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester?
The molecular formula of 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester is C16H28O4.
What is the molecular weight of 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester?
The molecular weight of 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester is 284.20 g/mol.
Where can I buy 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester?
You can request a quote for 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenedioic acid (2E)-, 1,4-bis(4-methylpentyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.