1-(4-Methoxyphenyl)butane-1,3-dione
TL;DR: 1-(4-Methoxyphenyl)butane-1,3-dione (CAS 4023-80-7) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)butane-1,3-dione
Also Known As: 1-(4-Methoxyphenyl)butane-1,3-dione, 4-Methoxybenzoylacetone, 4-Methoxybenzoyl acetone, p-methoxybenzoylacetone, p-Methoxybenzoylaceton
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 4023-80-7 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=C(C=C1)OC |
| InChIKey | PVCFQGTUBKQIMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxyphenyl)butane-1,3-dione (CAS 4023-80-7), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1-(4-methoxyphenyl)butane-1,3-dione.
Chemical Property Profile of 1-(4-Methoxyphenyl)butane-1,3-dione
Property Insights of 1-(4-Methoxyphenyl)butane-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxyphenyl)butane-1,3-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 1-(4-Methoxyphenyl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxyphenyl)butane-1,3-dione has 0 hydrogen bond donor(s) and 3 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-(4-Methoxyphenyl)butane-1,3-dione?
The CAS number of 1-(4-Methoxyphenyl)butane-1,3-dione is 4023-80-7.
What is the molecular formula of 1-(4-Methoxyphenyl)butane-1,3-dione?
The molecular formula of 1-(4-Methoxyphenyl)butane-1,3-dione is C11H12O3.
What is the molecular weight of 1-(4-Methoxyphenyl)butane-1,3-dione?
The molecular weight of 1-(4-Methoxyphenyl)butane-1,3-dione is 192.08 g/mol.
Where can I buy 1-(4-Methoxyphenyl)butane-1,3-dione?
You can request a quote for 1-(4-Methoxyphenyl)butane-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 1-(4-Methoxyphenyl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxyphenyl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.