1-Phenyl-1,4-pentanedione
TL;DR: 1-Phenyl-1,4-pentanedione (CAS 583-05-1) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylpentane-1,4-dione
Also Known As: 1-phenylpentane-1,4-dione, 1-Phenyl-1,4-pentanedione, 1-Phenyl-pentane-1,4-dione, 1-Phenyl-1,4-pentadione, 1,4-Pentanedione, 1-phenyl-
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 583-05-1 |
|---|---|
| SMILES | CC(=O)CCC(=O)C1=CC=CC=C1 |
| InChIKey | RBLXWIPBPPVLPU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-1,4-pentanedione (CAS 583-05-1), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 1-phenylpentane-1,4-dione.
Chemical Property Profile of 1-Phenyl-1,4-pentanedione
Property Insights of 1-Phenyl-1,4-pentanedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-1,4-pentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 1-Phenyl-1,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-1,4-pentanedione 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-Phenyl-1,4-pentanedione?
The CAS number of 1-Phenyl-1,4-pentanedione is 583-05-1.
What is the molecular formula of 1-Phenyl-1,4-pentanedione?
The molecular formula of 1-Phenyl-1,4-pentanedione is C11H12O2.
What is the molecular weight of 1-Phenyl-1,4-pentanedione?
The molecular weight of 1-Phenyl-1,4-pentanedione is 176.08 g/mol.
Where can I buy 1-Phenyl-1,4-pentanedione?
You can request a quote for 1-Phenyl-1,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-1,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-1,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.