Bis(2-methylbutyl) sebacate
TL;DR: Bis(2-methylbutyl) sebacate (CAS 93805-24-4) is a chemical compound with molecular formula C20H38O4 and molecular weight 342.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylbutyl) decanedioate
Also Known As: Bis sebacate, Bis(2-methylbutyl) sebacate, bis(2-methylbutyl) decanedioate, EINECS 298-507-7, bis-(2-Methylbutyl) sebacate
| Molecular Formula | C20H38O4 |
|---|---|
| Molecular Weight | 342.28 g/mol |
| LogP | 5.2858 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 342.277 |
| Heavy Atoms | 24 |
| Complexity | 295.60052 |
Chemical Identifiers
| CAS Number | 93805-24-4 |
|---|---|
| SMILES | CCC(C)COC(=O)CCCCCCCCC(=O)OCC(C)CC |
Product Overview
Bis(2-methylbutyl) sebacate (CAS 93805-24-4), with molecular formula C20H38O4 and molecular weight 342.28 g/mol. IUPAC: bis(2-methylbutyl) decanedioate.
Chemical Property Profile of Bis(2-methylbutyl) sebacate
Property Insights of Bis(2-methylbutyl) sebacate
The XLogP value of 5.2858 indicates that Bis(2-methylbutyl) sebacate 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(2-methylbutyl) sebacate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-methylbutyl) sebacate 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(2-methylbutyl) sebacate?
The CAS number of Bis(2-methylbutyl) sebacate is 93805-24-4.
What is the molecular formula of Bis(2-methylbutyl) sebacate?
The molecular formula of Bis(2-methylbutyl) sebacate is C20H38O4.
What is the molecular weight of Bis(2-methylbutyl) sebacate?
The molecular weight of Bis(2-methylbutyl) sebacate is 342.28 g/mol.
Where can I buy Bis(2-methylbutyl) sebacate?
You can request a quote for Bis(2-methylbutyl) sebacate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-methylbutyl) sebacate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-methylbutyl) sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.