1-Phenyl-3-buten-2-one
TL;DR: 1-Phenyl-3-buten-2-one (CAS 37442-55-0) is a chemical compound with molecular formula C10H10O and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylbut-3-en-2-one
Also Known As: 1-phenylbut-3-en-2-one, phenylbutenone, 1-PHENYL-3-BUTEN-2-ONE, Benzylvinyl ketone, phenyl-but-3-en-2-one
| Molecular Formula | C10H10O |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.07317 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 37442-55-0 |
|---|---|
| SMILES | C=CC(=O)CC1=CC=CC=C1 |
| InChIKey | PTUXNCQDACBMKP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-buten-2-one (CAS 37442-55-0), with molecular formula C10H10O and molecular weight 146.07 g/mol. IUPAC: 1-phenylbut-3-en-2-one.
Chemical Property Profile of 1-Phenyl-3-buten-2-one
Property Insights of 1-Phenyl-3-buten-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-buten-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-Phenyl-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-buten-2-one has 0 hydrogen bond donor(s) and 1 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-Phenyl-3-buten-2-one?
The CAS number of 1-Phenyl-3-buten-2-one is 37442-55-0.
What is the molecular formula of 1-Phenyl-3-buten-2-one?
The molecular formula of 1-Phenyl-3-buten-2-one is C10H10O.
What is the molecular weight of 1-Phenyl-3-buten-2-one?
The molecular weight of 1-Phenyl-3-buten-2-one is 146.07 g/mol.
Where can I buy 1-Phenyl-3-buten-2-one?
You can request a quote for 1-Phenyl-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.