3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione
TL;DR: 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione (CAS 86213-22-1) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methylidene]pentane-2,4-dione
Also Known As: 3-(3,4-dimethoxybenzylidene)-2,4-pentanedione, 3-[(3,4-dimethoxyphenyl)methylidene]pentane-2,4-dione, 3-(4,5-dimethoxybenzylidene)pentane-2,4-dione, 2,4-Pentanedione, 3-[(3,4-dimethoxyphenyl)methylene]-
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.2652 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 484.5155 |
Chemical Identifiers
| CAS Number | 86213-22-1 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC(=C(C=C1)OC)OC)C(=O)C |
Product Overview
3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione (CAS 86213-22-1), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione
Property Insights of 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione
The XLogP value of 2.2652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione 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 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione?
The CAS number of 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione is 86213-22-1.
What is the molecular formula of 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione?
The molecular formula of 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione is C14H16O4.
What is the molecular weight of 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione?
The molecular weight of 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione is 248.10 g/mol.
Where can I buy 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione?
You can request a quote for 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxybenzylidene)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.