3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one
TL;DR: 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one (CAS 118948-72-4) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one
Also Known As: 3-methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one, 2-Buten-1-one,3-methyl-1-(2,4,5-trihydroxyphenyl)-(9CI), 3-methyl-1-(2,4,5-trihydroxyphenyl)-2-buten-1-one, 2-Buten-1-one, 3-methyl-1-(2,4,5-trihydroxyphenyl)-, 3-methyl-1-(2,4,5-trihydroxy-phenyl)-but-2-en-1-one
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.9523 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 428.45923 |
Chemical Identifiers
| CAS Number | 118948-72-4 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC(=C(C=C1O)O)O)C |
Product Overview
3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one (CAS 118948-72-4), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 3-methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one.
Chemical Property Profile of 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one
Property Insights of 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one
The XLogP value of 1.9523 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one. Following Lipinski's Rule of Five, 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one has 3 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 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one?
The CAS number of 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one is 118948-72-4.
What is the molecular formula of 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one?
The molecular formula of 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one is C11H12O4.
What is the molecular weight of 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one?
The molecular weight of 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one is 208.07 g/mol.
Where can I buy 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one?
You can request a quote for 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-(2,4,5-trihydroxyphenyl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.