1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
TL;DR: 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one (CAS 58344-83-5) is a chemical compound with molecular formula C15H18O4 and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one
Also Known As: 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 3.0523 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 523.6825 |
Chemical Identifiers
| CAS Number | 58344-83-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=CC1=CC2=C(C=C1OC)OCO2 |
Product Overview
1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one (CAS 58344-83-5), with molecular formula C15H18O4 and molecular weight 262.12 g/mol. IUPAC: 1-(6-methoxy-1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
Property Insights of 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one
The XLogP value of 3.0523 indicates that 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one 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-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one?
The CAS number of 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one is 58344-83-5.
What is the molecular formula of 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one?
The molecular formula of 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one is C15H18O4.
What is the molecular weight of 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one?
The molecular weight of 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one is 262.12 g/mol.
Where can I buy 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one?
You can request a quote for 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,5-Methylenedioxy-2-methoxyphenyl)-4,4-dimethyl-1-penten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.