1-(Phenanthren-1-yl)ethanone
TL;DR: 1-(Phenanthren-1-yl)ethanone (CAS 6629-95-4) is a chemical compound with molecular formula C16H12O and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenanthren-1-ylethanone
Also Known As: 1-(phenanthren-1-yl)ethanone, 1-acetylphenanthrene, 1-phenanthren-1-ylethanone, 1-acetyl-phenanthrene, n-Pentyl-1-naphtylketon
| Molecular Formula | C16H12O |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.08882 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 6629-95-4 |
|---|---|
| SMILES | CC(=O)C1=CC=CC2=C1C=CC3=CC=CC=C32 |
| InChIKey | FFNRKAWQIXXMNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Phenanthren-1-yl)ethanone (CAS 6629-95-4), with molecular formula C16H12O and molecular weight 220.09 g/mol. IUPAC: 1-phenanthren-1-ylethanone.
Chemical Property Profile of 1-(Phenanthren-1-yl)ethanone
Property Insights of 1-(Phenanthren-1-yl)ethanone
The XLogP value of 4.1 indicates that 1-(Phenanthren-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(Phenanthren-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenanthren-1-yl)ethanone 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-(Phenanthren-1-yl)ethanone?
The CAS number of 1-(Phenanthren-1-yl)ethanone is 6629-95-4.
What is the molecular formula of 1-(Phenanthren-1-yl)ethanone?
The molecular formula of 1-(Phenanthren-1-yl)ethanone is C16H12O.
What is the molecular weight of 1-(Phenanthren-1-yl)ethanone?
The molecular weight of 1-(Phenanthren-1-yl)ethanone is 220.09 g/mol.
Where can I buy 1-(Phenanthren-1-yl)ethanone?
You can request a quote for 1-(Phenanthren-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenanthren-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenanthren-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.