Butane-1,4-diyl dihexanoate
TL;DR: Butane-1,4-diyl dihexanoate (CAS 1572-77-6) 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-hexanoyloxybutyl hexanoate
Also Known As: butane-1,4-diyl dihexanoate, 4-hexanoyloxybutyl hexanoate, 1,4-butane diol dihexanoate, 1,4-Butylene glycol dicaproate, Dihexanoic acid 1,4-butanediyl
| Molecular Formula | C16H30O4 |
|---|---|
| Molecular Weight | 286.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 286.21442 |
| Heavy Atoms | 20 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 1572-77-6 |
|---|---|
| SMILES | CCCCCC(=O)OCCCCOC(=O)CCCCC |
| InChIKey | QHBWOETXANVQER-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 dihexanoate (CAS 1572-77-6), with molecular formula C16H30O4 and molecular weight 286.21 g/mol. IUPAC: 4-hexanoyloxybutyl hexanoate.
Chemical Property Profile of Butane-1,4-diyl dihexanoate
Property Insights of Butane-1,4-diyl dihexanoate
The XLogP value of 4.5 indicates that Butane-1,4-diyl dihexanoate 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 dihexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane-1,4-diyl dihexanoate 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 dihexanoate?
The CAS number of Butane-1,4-diyl dihexanoate is 1572-77-6.
What is the molecular formula of Butane-1,4-diyl dihexanoate?
The molecular formula of Butane-1,4-diyl dihexanoate is C16H30O4.
What is the molecular weight of Butane-1,4-diyl dihexanoate?
The molecular weight of Butane-1,4-diyl dihexanoate is 286.21 g/mol.
Where can I buy Butane-1,4-diyl dihexanoate?
You can request a quote for Butane-1,4-diyl dihexanoate 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 dihexanoate?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diyl dihexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.