1-(3,4-Dimethoxyphenyl)butane-1,3-dione
TL;DR: 1-(3,4-Dimethoxyphenyl)butane-1,3-dione (CAS 13298-49-2) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethoxyphenyl)butane-1,3-dione
Also Known As: 1-(3,4-dimethoxyphenyl)butane-1,3-dione, m,p-Dimethoxybenzoylacetone, 1-(3,4-dimethoxyphenyl)-1,3-butanedione, J1.791.503G
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 13298-49-2 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC(=C(C=C1)OC)OC |
| InChIKey | WIPDJSMZXOYFOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Dimethoxyphenyl)butane-1,3-dione (CAS 13298-49-2), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)butane-1,3-dione.
Chemical Property Profile of 1-(3,4-Dimethoxyphenyl)butane-1,3-dione
Property Insights of 1-(3,4-Dimethoxyphenyl)butane-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethoxyphenyl)butane-1,3-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 1-(3,4-Dimethoxyphenyl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxyphenyl)butane-1,3-dione has 0 hydrogen bond donor(s) and 4 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-(3,4-Dimethoxyphenyl)butane-1,3-dione?
The CAS number of 1-(3,4-Dimethoxyphenyl)butane-1,3-dione is 13298-49-2.
What is the molecular formula of 1-(3,4-Dimethoxyphenyl)butane-1,3-dione?
The molecular formula of 1-(3,4-Dimethoxyphenyl)butane-1,3-dione is C12H14O4.
What is the molecular weight of 1-(3,4-Dimethoxyphenyl)butane-1,3-dione?
The molecular weight of 1-(3,4-Dimethoxyphenyl)butane-1,3-dione is 222.09 g/mol.
Where can I buy 1-(3,4-Dimethoxyphenyl)butane-1,3-dione?
You can request a quote for 1-(3,4-Dimethoxyphenyl)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-(3,4-Dimethoxyphenyl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxyphenyl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.