Dodecyl isobutyrate
TL;DR: Dodecyl isobutyrate (CAS 7424-67-1) is a chemical compound with molecular formula C16H32O2 and molecular weight 256.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 2-methylpropanoate
Also Known As: Dodecyl isobutyrate, Lauryl isobutyrate, Dodecyl 2-methylpropanoate, Lauryl 2-methylpropanoate, Isobutyric acid, dodecyl ester
| Molecular Formula | C16H32O2 |
|---|---|
| Molecular Weight | 256.24 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 256.24023 |
| Heavy Atoms | 18 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 7424-67-1 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C(C)C |
| InChIKey | LDPLLPONRGVDGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dodecyl isobutyrate (CAS 7424-67-1), with molecular formula C16H32O2 and molecular weight 256.24 g/mol. IUPAC: dodecyl 2-methylpropanoate.
Chemical Property Profile of Dodecyl isobutyrate
Property Insights of Dodecyl isobutyrate
The XLogP value of 6.6 indicates that Dodecyl isobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dodecyl isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl isobutyrate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl isobutyrate?
The CAS number of Dodecyl isobutyrate is 7424-67-1.
What is the molecular formula of Dodecyl isobutyrate?
The molecular formula of Dodecyl isobutyrate is C16H32O2.
What is the molecular weight of Dodecyl isobutyrate?
The molecular weight of Dodecyl isobutyrate is 256.24 g/mol.
Where can I buy Dodecyl isobutyrate?
You can request a quote for Dodecyl isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.