Mallotojaponin
TL;DR: Mallotojaponin (CAS 86828-07-1) is a chemical compound with molecular formula C24H28O8 and molecular weight 444.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone
Also Known As: Mallotojaponin, Phloroglucinol deriv., 3-(3,3-dimethylallyl)-5-(3-acetyl-2,4-dihydroxy-5-methyl-6-methoxybenzyl)phloroacetophenone, 1-[3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone, Ethanone, 1-(3-((3-acetyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl)-2,4,6-trihydroxy-5-(3-methyl-2-butenyl)phenyl)-
| Molecular Formula | C24H28O8 |
|---|---|
| Molecular Weight | 444.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.1784 |
| Heavy Atoms | 32 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 86828-07-1 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1OC)CC2=C(C(=C(C(=C2O)CC=C(C)C)O)C(=O)C)O)O)C(=O)C)O |
| InChIKey | GEWBQPFQVFANET-UHFFFAOYSA-N |
Product Overview
Mallotojaponin (CAS 86828-07-1), with molecular formula C24H28O8 and molecular weight 444.18 g/mol. IUPAC: 1-[3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl]methyl]-2,6-dihydroxy-4-methoxy-5-methylphenyl]ethanone.
Chemical Property Profile of Mallotojaponin
Property Insights of Mallotojaponin
The XLogP value of 4.8 indicates that Mallotojaponin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Mallotojaponin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mallotojaponin has 5 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 Mallotojaponin?
The CAS number of Mallotojaponin is 86828-07-1.
What is the molecular formula of Mallotojaponin?
The molecular formula of Mallotojaponin is C24H28O8.
What is the molecular weight of Mallotojaponin?
The molecular weight of Mallotojaponin is 444.18 g/mol.
Where can I buy Mallotojaponin?
You can request a quote for Mallotojaponin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mallotojaponin?
Yes, KEHONG BIO provides custom synthesis services for Mallotojaponin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.