Butane-1,4-diyl bis(3-methylbutanoate)
TL;DR: Butane-1,4-diyl bis(3-methylbutanoate) (CAS 1572-76-5) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylbutanoyloxy)butyl 3-methylbutanoate
Also Known As: 1,4-Diisovaleryloxy-butan, butane-1,4-diyl bis(3-methylbutanoate), 4-(3-methylbutanoyloxy)butyl 3-methylbutanoate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 1572-76-5 |
|---|---|
| SMILES | CC(C)CC(=O)OCCCCOC(=O)CC(C)C |
| InChIKey | NQPMSMAZLWYHRW-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diyl bis(3-methylbutanoate) (CAS 1572-76-5), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: 4-(3-methylbutanoyloxy)butyl 3-methylbutanoate.
Chemical Property Profile of Butane-1,4-diyl bis(3-methylbutanoate)
Property Insights of Butane-1,4-diyl bis(3-methylbutanoate)
The XLogP value of 3.2 indicates that Butane-1,4-diyl bis(3-methylbutanoate) 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(3-methylbutanoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane-1,4-diyl bis(3-methylbutanoate) 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(3-methylbutanoate)?
The CAS number of Butane-1,4-diyl bis(3-methylbutanoate) is 1572-76-5.
What is the molecular formula of Butane-1,4-diyl bis(3-methylbutanoate)?
The molecular formula of Butane-1,4-diyl bis(3-methylbutanoate) is C14H26O4.
What is the molecular weight of Butane-1,4-diyl bis(3-methylbutanoate)?
The molecular weight of Butane-1,4-diyl bis(3-methylbutanoate) is 258.18 g/mol.
Where can I buy Butane-1,4-diyl bis(3-methylbutanoate)?
You can request a quote for Butane-1,4-diyl bis(3-methylbutanoate) 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(3-methylbutanoate)?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diyl bis(3-methylbutanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.