3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione
TL;DR: 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione (CAS 91418-45-0) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-hydroxy-3-methoxyphenyl)methylidene]pentane-2,4-dione
Also Known As: 3-(4-Hydroxy-3-methoxybenzylidene)pentane-2,4-dione, VANILLYLIDENE PENTANEDIONE, 3-[(4-hydroxy-3-methoxyphenyl)methylene]-2,4-pentanedione, 3-vanillylidenepentane-2,4-dione, 3-[(4-hydroxy-3-methoxyphenyl)methylidene]pentane-2,4-dione
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 91418-45-0 |
|---|---|
| SMILES | CC(=O)C(=CC1=CC(=C(C=C1)O)OC)C(=O)C |
| InChIKey | XMAWAPAJKQHUHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione (CAS 91418-45-0), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: 3-[(4-hydroxy-3-methoxyphenyl)methylidene]pentane-2,4-dione.
Chemical Property Profile of 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione
Property Insights of 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione. Following Lipinski's Rule of Five, 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione has 1 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-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione?
The CAS number of 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione is 91418-45-0.
What is the molecular formula of 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione?
The molecular formula of 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione is C13H14O4.
What is the molecular weight of 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione?
The molecular weight of 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione is 234.09 g/mol.
Where can I buy 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione?
You can request a quote for 3-((4-Hydroxy-3-methoxyphenyl)methylene)-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-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Hydroxy-3-methoxyphenyl)methylene)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.