(3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one
TL;DR: (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one (CAS 56681-06-2) 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)-4-(2,3,6-trimethylphenyl)but-3-en-2-one
Also Known As: 3-Buten-2-one,4- -, (E)-4-(2',3',6'-trimethylphenyl)-3-buten-2-one, 4-(2,3,6-Trimethylphenyl)but-3-en-2-one, (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one, (3E)-4-(2,3,6-trimethylphenyl)but-3-en-2-one
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.21406 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 386.4672 |
Chemical Identifiers
| CAS Number | 56681-06-2 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)/C=C/C(=O)C)C |
Product Overview
(3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one (CAS 56681-06-2), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: (E)-4-(2,3,6-trimethylphenyl)but-3-en-2-one.
Chemical Property Profile of (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one
Property Insights of (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one
The XLogP value of 3.21406 indicates that (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one 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 (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one?
The CAS number of (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one is 56681-06-2.
What is the molecular formula of (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one?
The molecular formula of (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one is C13H16O.
What is the molecular weight of (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one?
The molecular weight of (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one is 188.12 g/mol.
Where can I buy (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one?
You can request a quote for (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-4-(2,3,6-trimethylphenyl)-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.