1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one
TL;DR: 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one (CAS 58344-30-2) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one
Also Known As: 2,5-Dimethoxybenzylidene pinacolone, NCI60_014573, 1-(2,5-Dimethoxyphenyl)-4,4-dimethyl-1-penten-3-one, 1-(2,5-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 58344-30-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=CC1=C(C=CC(=C1)OC)OC |
| InChIKey | DSNCWEGRIPVGQD-UHFFFAOYSA-N |
Product Overview
1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one (CAS 58344-30-2), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 1-(2,5-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one
Property Insights of 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one
The XLogP value of 3.4 indicates that 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one 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-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one?
The CAS number of 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one is 58344-30-2.
What is the molecular formula of 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one?
The molecular formula of 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one is C15H20O3.
What is the molecular weight of 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one?
The molecular weight of 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one is 248.14 g/mol.
Where can I buy 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one?
You can request a quote for 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-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-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.