3,4-Dimethoxy benzylidene pinacolone
TL;DR: 3,4-Dimethoxy benzylidene pinacolone (CAS 58344-29-9) 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-(3,4-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one
Also Known As: 3,4-Dimethoxy benzylidene pinacolone, NCI60_014639, 1-(3,4-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one, 1-(3,4-Dimethoxyphenyl)-4,4-dimethyl-1-penten-3-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 3.0 |
| 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 | 58344-29-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)OC)OC |
| InChIKey | DUOQAPIZFRFCLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethoxy benzylidene pinacolone (CAS 58344-29-9), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 1-(3,4-dimethoxyphenyl)-4,4-dimethylpent-1-en-3-one.
Chemical Property Profile of 3,4-Dimethoxy benzylidene pinacolone
Property Insights of 3,4-Dimethoxy benzylidene pinacolone
The XLogP value of 3.0 indicates that 3,4-Dimethoxy benzylidene pinacolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 3,4-Dimethoxy benzylidene pinacolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethoxy benzylidene pinacolone 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 3,4-Dimethoxy benzylidene pinacolone?
The CAS number of 3,4-Dimethoxy benzylidene pinacolone is 58344-29-9.
What is the molecular formula of 3,4-Dimethoxy benzylidene pinacolone?
The molecular formula of 3,4-Dimethoxy benzylidene pinacolone is C15H20O3.
What is the molecular weight of 3,4-Dimethoxy benzylidene pinacolone?
The molecular weight of 3,4-Dimethoxy benzylidene pinacolone is 248.14 g/mol.
Where can I buy 3,4-Dimethoxy benzylidene pinacolone?
You can request a quote for 3,4-Dimethoxy benzylidene pinacolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethoxy benzylidene pinacolone?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethoxy benzylidene pinacolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.