1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione
TL;DR: 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione (CAS 95002-36-1) is a chemical compound with molecular formula C21H24O4 and molecular weight 340.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(4-methoxy-2,6-dimethylphenyl)propane-1,3-dione
Also Known As: Nonacylated oxime, 26, 1,3-bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione, AB-131/42301633, 1,3-bis(4-methoxy-2,6-dimethylphenyl)propane-1,3-dione, 1,3-bis(4-methoxy-2,6-dimethyl-phenyl)propane-1,3-dione
| Molecular Formula | C21H24O4 |
|---|---|
| Molecular Weight | 340.17 g/mol |
| LogP | 4.39318 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.16745 |
| Heavy Atoms | 25 |
| Complexity | 718.2751 |
Chemical Identifiers
| CAS Number | 95002-36-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)CC(=O)C2=C(C=C(C=C2C)OC)C)C)OC |
Product Overview
1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione (CAS 95002-36-1), with molecular formula C21H24O4 and molecular weight 340.17 g/mol. IUPAC: 1,3-bis(4-methoxy-2,6-dimethylphenyl)propane-1,3-dione.
Chemical Property Profile of 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione
Property Insights of 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione
The XLogP value of 4.39318 indicates that 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione 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-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione?
The CAS number of 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione is 95002-36-1.
What is the molecular formula of 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione?
The molecular formula of 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione is C21H24O4.
What is the molecular weight of 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione?
The molecular weight of 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione is 340.17 g/mol.
Where can I buy 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione?
You can request a quote for 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(4-methoxy-2,6-dimethylphenyl)-1,3-propanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.