1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one
TL;DR: 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one (CAS 3098-38-2) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)ethanone
Also Known As: 1- ETHAN-1-ONE, 1-(3-acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one, 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)ethanone, J1.364.653H, 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)ethan-1-one
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 1.5116 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 461.93298 |
Chemical Identifiers
| CAS Number | 3098-38-2 |
|---|---|
| SMILES | CC(=O)C1=C(C(=C(C=C1O)OC)C(=O)C)O |
Product Overview
1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one (CAS 3098-38-2), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)ethanone.
Chemical Property Profile of 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one
Property Insights of 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one
The XLogP value of 1.5116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one. Following Lipinski's Rule of Five, 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one has 2 hydrogen bond donor(s) and 5 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-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one?
The CAS number of 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one is 3098-38-2.
What is the molecular formula of 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one?
The molecular formula of 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one is C11H12O5.
What is the molecular weight of 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one?
The molecular weight of 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one is 224.07 g/mol.
Where can I buy 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one?
You can request a quote for 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Acetyl-2,4-dihydroxy-6-methoxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.