3-Hydroxy-1-phenylbut-2-EN-1-one
TL;DR: 3-Hydroxy-1-phenylbut-2-EN-1-one (CAS 33951-43-8) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-phenylbut-3-en-2-one
Also Known As: 4-hydroxy-4-phenylbut-3-en-2-one, 4-hydroxy-4-phenyl-3-buten-2-one, 2-Buten-1-one, 3-hydroxy-1-phenyl-, 3-HYDROXY-1-PHENYLBUT-2-EN-1-ONE, 2-Buten-1-one, 3-hydroxy-1-phenyl-, (Z)-
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 33951-43-8 |
|---|---|
| SMILES | CC(=O)C=C(C1=CC=CC=C1)O |
| InChIKey | MPRZBJONKJDMJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-1-phenylbut-2-EN-1-one (CAS 33951-43-8), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 4-hydroxy-4-phenylbut-3-en-2-one.
Chemical Property Profile of 3-Hydroxy-1-phenylbut-2-EN-1-one
Property Insights of 3-Hydroxy-1-phenylbut-2-EN-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-1-phenylbut-2-EN-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-1-phenylbut-2-EN-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-1-phenylbut-2-EN-1-one 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 3-Hydroxy-1-phenylbut-2-EN-1-one?
The CAS number of 3-Hydroxy-1-phenylbut-2-EN-1-one is 33951-43-8.
What is the molecular formula of 3-Hydroxy-1-phenylbut-2-EN-1-one?
The molecular formula of 3-Hydroxy-1-phenylbut-2-EN-1-one is C10H10O2.
What is the molecular weight of 3-Hydroxy-1-phenylbut-2-EN-1-one?
The molecular weight of 3-Hydroxy-1-phenylbut-2-EN-1-one is 162.07 g/mol.
Where can I buy 3-Hydroxy-1-phenylbut-2-EN-1-one?
You can request a quote for 3-Hydroxy-1-phenylbut-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-Hydroxy-1-phenylbut-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-1-phenylbut-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.