Isobutylstyryl ketone
TL;DR: Isobutylstyryl ketone (CAS 29803-27-8) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-5-methyl-1-phenylhex-1-en-3-one
Also Known As: Isobutyl Styryl Ketone, Styryl isobutyl ketone, Isobutylstyryl ketone, 5-Methyl-1-phenylhex-1-en-3-one, 1-Hexen-3-one, 5-methyl-1-phenyl-
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.315 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 309.26727 |
Chemical Identifiers
| CAS Number | 29803-27-8 |
|---|---|
| SMILES | CC(C)CC(=O)/C=C/C1=CC=CC=C1 |
Product Overview
Isobutylstyryl ketone (CAS 29803-27-8), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: (E)-5-methyl-1-phenylhex-1-en-3-one.
Chemical Property Profile of Isobutylstyryl ketone
Property Insights of Isobutylstyryl ketone
The XLogP value of 3.315 indicates that Isobutylstyryl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Isobutylstyryl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutylstyryl ketone 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 Isobutylstyryl ketone?
The CAS number of Isobutylstyryl ketone is 29803-27-8.
What is the molecular formula of Isobutylstyryl ketone?
The molecular formula of Isobutylstyryl ketone is C13H16O.
What is the molecular weight of Isobutylstyryl ketone?
The molecular weight of Isobutylstyryl ketone is 188.12 g/mol.
Where can I buy Isobutylstyryl ketone?
You can request a quote for Isobutylstyryl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutylstyryl ketone?
Yes, KEHONG BIO provides custom synthesis services for Isobutylstyryl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.