3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione
TL;DR: 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione (CAS 35717-44-3) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-hydroxy-3-methoxyphenyl)methyl]pentane-2,4-dione
Also Known As: acetyl zingerone, Synoxyl AZ, 2,4-Pentanedione, 3-vanillyl-, 3-Vanillyl-2,4-pentanedione, 3-(4-hydroxy-3-methoxybenzyl)pentane-2,4-dione
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 35717-44-3 |
|---|---|
| SMILES | CC(=O)C(CC1=CC(=C(C=C1)O)OC)C(=O)C |
| InChIKey | IFGDRUTWCITGHG-UHFFFAOYSA-N |
Product Overview
3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione (CAS 35717-44-3), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: 3-[(4-hydroxy-3-methoxyphenyl)methyl]pentane-2,4-dione.
Chemical Property Profile of 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione
Property Insights of 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione. Following Lipinski's Rule of Five, 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione 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)methyl)pentane-2,4-dione?
The CAS number of 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione is 35717-44-3.
What is the molecular formula of 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione?
The molecular formula of 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione is C13H16O4.
What is the molecular weight of 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione?
The molecular weight of 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione is 236.10 g/mol.
Where can I buy 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione?
You can request a quote for 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione 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)methyl)pentane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Hydroxy-3-methoxyphenyl)methyl)pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.