1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone
TL;DR: 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone (CAS 4044-96-6) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone
Also Known As: 1-(5-acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone, 1-(5-acetyl-3-butyl-2,4-dihydroxyphenyl)ethan-1-one, 4,6-Diacetyl-2-butylresorcinol, 2-n-Butyl-4,6-diacetyl resorcinol, 1,1'-(5-butyl-4,6-dihydroxy-1,3-phenylene)bis-ethanone
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.8456 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 450.80762 |
Chemical Identifiers
| CAS Number | 4044-96-6 |
|---|---|
| SMILES | CCCCC1=C(C(=CC(=C1O)C(=O)C)C(=O)C)O |
Product Overview
1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone (CAS 4044-96-6), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: 1-(5-acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone.
Chemical Property Profile of 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone
Property Insights of 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone
The XLogP value of 2.8456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone. Following Lipinski's Rule of Five, 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone has 2 hydrogen bond donor(s) and 4 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-3-butyl-2,4-dihydroxyphenyl)ethanone?
The CAS number of 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone is 4044-96-6.
What is the molecular formula of 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone?
The molecular formula of 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone is C14H18O4.
What is the molecular weight of 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone?
The molecular weight of 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone is 250.12 g/mol.
Where can I buy 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone?
You can request a quote for 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone 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-3-butyl-2,4-dihydroxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Acetyl-3-butyl-2,4-dihydroxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.