1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one
TL;DR: 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one (CAS 51995-98-3) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-2-methoxyphenyl)-3-methylbutan-1-one
Also Known As: Espeletone, Espeleton, 1-(5-acetyl-2-methoxyphenyl)-3-methyl-1-butanone, 1-(5-acetyl-2-methoxyphenyl)-3-methylbutan-1-one, 1-(5-acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 3.1266 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 433.0935 |
Chemical Identifiers
| CAS Number | 51995-98-3 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C=CC(=C1)C(=O)C)OC |
Product Overview
1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one (CAS 51995-98-3), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 1-(5-acetyl-2-methoxyphenyl)-3-methylbutan-1-one.
Chemical Property Profile of 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one
Property Insights of 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one
The XLogP value of 3.1266 indicates that 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one has 0 hydrogen bond donor(s) and 3 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 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one?
The CAS number of 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one is 51995-98-3.
What is the molecular formula of 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one?
The molecular formula of 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one is C14H18O3.
What is the molecular weight of 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one?
The molecular weight of 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one is 234.13 g/mol.
Where can I buy 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one?
You can request a quote for 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Acetyl-2-methoxy-phenyl)-3-methyl-butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.