Butane-1,4-diyl bis(2-ethylbutanoate)
TL;DR: Butane-1,4-diyl bis(2-ethylbutanoate) (CAS 59751-40-5) is a chemical compound with molecular formula C16H30O4 and molecular weight 286.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethylbutanoyloxy)butyl 2-ethylbutanoate
Also Known As: butane-1,4-diyl bis(2-ethylbutanoate), 4-(2-ethylbutanoyloxy)butyl 2-ethylbutanoate, 1,2-DI(2-ETHYLBUTOXY)BUTANE
| Molecular Formula | C16H30O4 |
|---|---|
| Molecular Weight | 286.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 286.21442 |
| Heavy Atoms | 20 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 59751-40-5 |
|---|---|
| SMILES | CCC(CC)C(=O)OCCCCOC(=O)C(CC)CC |
| InChIKey | CZIFSMDBHPYGFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butane-1,4-diyl bis(2-ethylbutanoate) (CAS 59751-40-5), with molecular formula C16H30O4 and molecular weight 286.21 g/mol. IUPAC: 4-(2-ethylbutanoyloxy)butyl 2-ethylbutanoate.
Chemical Property Profile of Butane-1,4-diyl bis(2-ethylbutanoate)
Property Insights of Butane-1,4-diyl bis(2-ethylbutanoate)
The XLogP value of 4.2 indicates that Butane-1,4-diyl bis(2-ethylbutanoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butane-1,4-diyl bis(2-ethylbutanoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane-1,4-diyl bis(2-ethylbutanoate) 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 Butane-1,4-diyl bis(2-ethylbutanoate)?
The CAS number of Butane-1,4-diyl bis(2-ethylbutanoate) is 59751-40-5.
What is the molecular formula of Butane-1,4-diyl bis(2-ethylbutanoate)?
The molecular formula of Butane-1,4-diyl bis(2-ethylbutanoate) is C16H30O4.
What is the molecular weight of Butane-1,4-diyl bis(2-ethylbutanoate)?
The molecular weight of Butane-1,4-diyl bis(2-ethylbutanoate) is 286.21 g/mol.
Where can I buy Butane-1,4-diyl bis(2-ethylbutanoate)?
You can request a quote for Butane-1,4-diyl bis(2-ethylbutanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,4-diyl bis(2-ethylbutanoate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diyl bis(2-ethylbutanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.