1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one
TL;DR: 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one (CAS 75631-42-4) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-acetyl-2,4-dihydroxy-3-prop-2-enylphenyl)ethanone
Also Known As: 1-(5-acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one, 2-allyl-4,6-diacetylresorcinol, 1-(5-acetyl-2,4-dihydroxy-3-prop-2-enylphenyl)ethanone, 1,1'-(5-Allyl-4,6-dihydroxy-1,3-phenylene)diethanone, Ethanone,1,1'-[4,6-dihydroxy-5-(2-propenyl)-1,3-phenylene]bis- (9CI)
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.2315 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 462.3812 |
Chemical Identifiers
| CAS Number | 75631-42-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1O)CC=C)O)C(=O)C |
Product Overview
1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one (CAS 75631-42-4), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 1-(5-acetyl-2,4-dihydroxy-3-prop-2-enylphenyl)ethanone.
Chemical Property Profile of 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one
Property Insights of 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one
The XLogP value of 2.2315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one 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-allyl-2,4-dihydroxyphenyl)ethan-1-one?
The CAS number of 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one is 75631-42-4.
What is the molecular formula of 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one?
The molecular formula of 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one is C13H14O4.
What is the molecular weight of 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one?
The molecular weight of 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one is 234.09 g/mol.
Where can I buy 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one?
You can request a quote for 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-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-3-allyl-2,4-dihydroxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Acetyl-3-allyl-2,4-dihydroxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.