2-Methyl-1-phenylbutane-1,3-dione
TL;DR: 2-Methyl-1-phenylbutane-1,3-dione (CAS 67460-69-9) 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.
2-methyl-1-phenylbutane-1,3-dione
Also Known As: 2-methyl-1-phenylbutane-1,3-dione, 3-Benzoyl-2-butanone, Methylbenzoylaceton, 1-phenyl-2-methyl-1,3-butanedione, 2-Methyl-1-phenyl-1,3-butanedione
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 67460-69-9 |
|---|---|
| SMILES | CC(C(=O)C)C(=O)C1=CC=CC=C1 |
| InChIKey | IRNJRGVFXLVQEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1-phenylbutane-1,3-dione (CAS 67460-69-9), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 2-methyl-1-phenylbutane-1,3-dione.
Chemical Property Profile of 2-Methyl-1-phenylbutane-1,3-dione
Property Insights of 2-Methyl-1-phenylbutane-1,3-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1-phenylbutane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Methyl-1-phenylbutane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1-phenylbutane-1,3-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 2-Methyl-1-phenylbutane-1,3-dione?
The CAS number of 2-Methyl-1-phenylbutane-1,3-dione is 67460-69-9.
What is the molecular formula of 2-Methyl-1-phenylbutane-1,3-dione?
The molecular formula of 2-Methyl-1-phenylbutane-1,3-dione is C11H12O2.
What is the molecular weight of 2-Methyl-1-phenylbutane-1,3-dione?
The molecular weight of 2-Methyl-1-phenylbutane-1,3-dione is 176.08 g/mol.
Where can I buy 2-Methyl-1-phenylbutane-1,3-dione?
You can request a quote for 2-Methyl-1-phenylbutane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1-phenylbutane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1-phenylbutane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.