Margaspidin
TL;DR: Margaspidin (CAS 1867-82-9) is a chemical compound with molecular formula C24H30O8 and molecular weight 446.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-methylphenyl]butan-1-one
Also Known As: Margaspidin, Margaspindin, Margaspidin BB, Butyrophenone, 2',2''',4',6',6'''-pentahydroxy-4'''-methoxy-3',3'''-methylenebis(5'-methyl-, 1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-methylphenyl]butan-1-one
| Molecular Formula | C24H30O8 |
|---|---|
| Molecular Weight | 446.19 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.19406 |
| Heavy Atoms | 32 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 1867-82-9 |
|---|---|
| SMILES | CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(=C(C(=C2O)C(=O)CCC)O)C)OC)O)C)O |
| InChIKey | QWRNQLIWXKNUNM-UHFFFAOYSA-N |
Product Overview
Margaspidin (CAS 1867-82-9), with molecular formula C24H30O8 and molecular weight 446.19 g/mol. IUPAC: 1-[3-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-2,4,6-trihydroxy-5-methylphenyl]butan-1-one.
Chemical Property Profile of Margaspidin
Property Insights of Margaspidin
The XLogP value of 4.9 indicates that Margaspidin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Margaspidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Margaspidin 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 Margaspidin?
The CAS number of Margaspidin is 1867-82-9.
What is the molecular formula of Margaspidin?
The molecular formula of Margaspidin is C24H30O8.
What is the molecular weight of Margaspidin?
The molecular weight of Margaspidin is 446.19 g/mol.
Where can I buy Margaspidin?
You can request a quote for Margaspidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Margaspidin?
Yes, KEHONG BIO provides custom synthesis services for Margaspidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.