2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-
TL;DR: 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- (CAS 4023-79-4) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-(4-methylphenyl)but-3-en-2-one
Also Known As: p-methylbenzoylacetone, 4-hydroxy-4-(4-methylphenyl)but-3-en-2-one, 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-, 3-HYDROXY-1-(4-METHYLPHENYL)BUT-2-EN-1-ONE
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.48292 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 333.61285 |
Chemical Identifiers
| CAS Number | 4023-79-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=CC(=O)C)O |
Product Overview
2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- (CAS 4023-79-4), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 4-hydroxy-4-(4-methylphenyl)but-3-en-2-one.
Chemical Property Profile of 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-
Property Insights of 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-
The XLogP value of 2.48292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- has 1 hydrogen bond donor(s) and 2 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 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-?
The CAS number of 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- is 4023-79-4.
What is the molecular formula of 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-?
The molecular formula of 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- is C11H12O2.
What is the molecular weight of 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-?
The molecular weight of 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- is 176.08 g/mol.
Where can I buy 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-?
You can request a quote for 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 3-hydroxy-1-(4-methylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.