Butyloctenal
TL;DR: Butyloctenal (CAS 13019-16-4) is a chemical compound with molecular formula C12H22O and molecular weight 182.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyloct-2-enal
Also Known As: 2-Butyloct-2-enal, Butyloctenal, 2-BUTYL-2-OCTENAL, 2-Octenal, 2-butyl-, Octenal, 2-butyl-
| Molecular Formula | C12H22O |
|---|---|
| Molecular Weight | 182.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 182.16707 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 13019-16-4 |
|---|---|
| SMILES | CCCCCC=C(CCCC)C=O |
| InChIKey | LYGMPIZYNJGJKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyloctenal (CAS 13019-16-4), with molecular formula C12H22O and molecular weight 182.17 g/mol. IUPAC: 2-butyloct-2-enal.
Chemical Property Profile of Butyloctenal
Property Insights of Butyloctenal
The XLogP value of 4.5 indicates that Butyloctenal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Butyloctenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyloctenal has 0 hydrogen bond donor(s) and 1 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 Butyloctenal?
The CAS number of Butyloctenal is 13019-16-4.
What is the molecular formula of Butyloctenal?
The molecular formula of Butyloctenal is C12H22O.
What is the molecular weight of Butyloctenal?
The molecular weight of Butyloctenal is 182.17 g/mol.
Where can I buy Butyloctenal?
You can request a quote for Butyloctenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyloctenal?
Yes, KEHONG BIO provides custom synthesis services for Butyloctenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.