1-Phenylhexane-2,4-dione
TL;DR: 1-Phenylhexane-2,4-dione (CAS 966-47-2) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylhexane-2,4-dione
Also Known As: 1-phenylhexane-2,4-dione, 1-phenyl-hexane-2,4-dione, 1-phenyl-2,4-hexanedione, 1-Phenyl-hexan-2,4-dion, NCIOpen2_000953
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 966-47-2 |
|---|---|
| SMILES | CCC(=O)CC(=O)CC1=CC=CC=C1 |
| InChIKey | COAYEGAVKIAWFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylhexane-2,4-dione (CAS 966-47-2), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 1-phenylhexane-2,4-dione.
Chemical Property Profile of 1-Phenylhexane-2,4-dione
Property Insights of 1-Phenylhexane-2,4-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenylhexane-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 1-Phenylhexane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylhexane-2,4-dione has 0 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 1-Phenylhexane-2,4-dione?
The CAS number of 1-Phenylhexane-2,4-dione is 966-47-2.
What is the molecular formula of 1-Phenylhexane-2,4-dione?
The molecular formula of 1-Phenylhexane-2,4-dione is C12H14O2.
What is the molecular weight of 1-Phenylhexane-2,4-dione?
The molecular weight of 1-Phenylhexane-2,4-dione is 190.10 g/mol.
Where can I buy 1-Phenylhexane-2,4-dione?
You can request a quote for 1-Phenylhexane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylhexane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylhexane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.