Mallotophenone
TL;DR: Mallotophenone (CAS 98569-63-2) is a chemical compound with molecular formula C21H24O8 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
Also Known As: Mallotophenone, Phloroglucinol deriv., BIS(3-ACETYL-2,4-DIHYDROXY-6-METHOXY-5-METHYLPHENYL)METHANE, 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methyl-phenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methyl-phenyl]ethanone, 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
| Molecular Formula | C21H24O8 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.14713 |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 98569-63-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C(C(=C2O)C(=O)C)O)C)OC)O)C(=O)C)O |
| InChIKey | JXSPGOIAWPYMGS-UHFFFAOYSA-N |
Product Overview
Mallotophenone (CAS 98569-63-2), with molecular formula C21H24O8 and molecular weight 404.15 g/mol. IUPAC: 1-[3-[(3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone.
Chemical Property Profile of Mallotophenone
Property Insights of Mallotophenone
The XLogP value of 3.6 indicates that Mallotophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mallotophenone. Following Lipinski's Rule of Five, Mallotophenone has 4 hydrogen bond donor(s) and 8 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 Mallotophenone?
The CAS number of Mallotophenone is 98569-63-2.
What is the molecular formula of Mallotophenone?
The molecular formula of Mallotophenone is C21H24O8.
What is the molecular weight of Mallotophenone?
The molecular weight of Mallotophenone is 404.15 g/mol.
Where can I buy Mallotophenone?
You can request a quote for Mallotophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mallotophenone?
Yes, KEHONG BIO provides custom synthesis services for Mallotophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.