Bis(3-methylbutyl) sebacate
TL;DR: Bis(3-methylbutyl) sebacate (CAS 10340-42-8) 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(3-methylbutyl) decanedioate
Also Known As: Bis(3-methylbutyl) sebacate, Diisopentyl decanedioate, Di-isoamylsebacat, bis(3-methylbutyl) decanedioate, Decandisaeure-diisopentylester
| Molecular Formula | C20H38O4 |
|---|---|
| Molecular Weight | 342.28 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 342.277 |
| Heavy Atoms | 24 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 10340-42-8 |
|---|---|
| SMILES | CC(C)CCOC(=O)CCCCCCCCC(=O)OCCC(C)C |
| InChIKey | AZTORLUDPYUCLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(3-methylbutyl) sebacate (CAS 10340-42-8), with molecular formula C20H38O4 and molecular weight 342.28 g/mol. IUPAC: bis(3-methylbutyl) decanedioate.
Chemical Property Profile of Bis(3-methylbutyl) sebacate
Property Insights of Bis(3-methylbutyl) sebacate
The XLogP value of 6.1 indicates that Bis(3-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(3-methylbutyl) sebacate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3-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(3-methylbutyl) sebacate?
The CAS number of Bis(3-methylbutyl) sebacate is 10340-42-8.
What is the molecular formula of Bis(3-methylbutyl) sebacate?
The molecular formula of Bis(3-methylbutyl) sebacate is C20H38O4.
What is the molecular weight of Bis(3-methylbutyl) sebacate?
The molecular weight of Bis(3-methylbutyl) sebacate is 342.28 g/mol.
Where can I buy Bis(3-methylbutyl) sebacate?
You can request a quote for Bis(3-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(3-methylbutyl) sebacate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-methylbutyl) sebacate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.