4-Phenyl-3-butyn-2-one
TL;DR: 4-Phenyl-3-butyn-2-one (CAS 1817-57-8) is a chemical compound with molecular formula C10H8O and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbut-3-yn-2-one
Also Known As: 4-Phenyl-3-butyn-2-one, 4-Phenylbut-3-yn-2-one, 3-Butyn-2-one, 4-phenyl-, phenylbutynone, 1-Phenyl-1-butyn-3-one
| Molecular Formula | C10H8O |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.05751 |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 1817-57-8 |
|---|---|
| SMILES | CC(=O)C#CC1=CC=CC=C1 |
| InChIKey | UPEUQDJSUFHFQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenyl-3-butyn-2-one (CAS 1817-57-8), with molecular formula C10H8O and molecular weight 144.06 g/mol. IUPAC: 4-phenylbut-3-yn-2-one.
Chemical Property Profile of 4-Phenyl-3-butyn-2-one
Property Insights of 4-Phenyl-3-butyn-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-3-butyn-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Phenyl-3-butyn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-3-butyn-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 4-Phenyl-3-butyn-2-one?
The CAS number of 4-Phenyl-3-butyn-2-one is 1817-57-8.
What is the molecular formula of 4-Phenyl-3-butyn-2-one?
The molecular formula of 4-Phenyl-3-butyn-2-one is C10H8O.
What is the molecular weight of 4-Phenyl-3-butyn-2-one?
The molecular weight of 4-Phenyl-3-butyn-2-one is 144.06 g/mol.
Where can I buy 4-Phenyl-3-butyn-2-one?
You can request a quote for 4-Phenyl-3-butyn-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-3-butyn-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-3-butyn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.