2-Phenyl-1-tetralone
TL;DR: 2-Phenyl-1-tetralone (CAS 7498-87-5) is a chemical compound with molecular formula C16H14O and molecular weight 222.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-3,4-dihydro-2H-naphthalen-1-one
Also Known As: phenyltetralone, phenyl tetralone, 2-phenyl-1-tetralone, 2-Phenyltetralin-1-one, 2-Phenyl-3,4-dihydro-1 -naphthalenone
| Molecular Formula | C16H14O |
|---|---|
| Molecular Weight | 222.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.10446 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 7498-87-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2C(=O)C1C3=CC=CC=C3 |
| InChIKey | DVIUIRUQKVUCNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-1-tetralone (CAS 7498-87-5), with molecular formula C16H14O and molecular weight 222.10 g/mol. IUPAC: 2-phenyl-3,4-dihydro-2H-naphthalen-1-one.
Chemical Property Profile of 2-Phenyl-1-tetralone
Property Insights of 2-Phenyl-1-tetralone
The XLogP value of 3.7 indicates that 2-Phenyl-1-tetralone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Phenyl-1-tetralone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1-tetralone 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 2-Phenyl-1-tetralone?
The CAS number of 2-Phenyl-1-tetralone is 7498-87-5.
What is the molecular formula of 2-Phenyl-1-tetralone?
The molecular formula of 2-Phenyl-1-tetralone is C16H14O.
What is the molecular weight of 2-Phenyl-1-tetralone?
The molecular weight of 2-Phenyl-1-tetralone is 222.10 g/mol.
Where can I buy 2-Phenyl-1-tetralone?
You can request a quote for 2-Phenyl-1-tetralone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1-tetralone?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1-tetralone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.