Mangostenone A
TL;DR: Mangostenone A (CAS 437711-44-9) is a chemical compound with molecular formula C28H28O6 and molecular weight 460.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,15-dihydroxy-7,7,19,19-tetramethyl-11-(3-methylbut-2-enyl)-2,8,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,5,9,11,14,16(21),17-octaen-13-one
Also Known As: Mangostenone A, J1.758.998I, dihydroxy-tetramethyl-(3-methylbut-2-enyl)[?]one, 10,15-dihydroxy-7,7,19,19-tetramethyl-11-(3-methylbut-2-enyl)-2,8,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,5,9,11,14,16(21),17-octaen-13-one, 3H,7H,11H-Dipyrano[3,2-b:3',2'-h]xanthen-7-one, 5,8-dihydroxy-3,3,11,11-tetramethyl-6-(3-methyl-2-butenyl)-
| Molecular Formula | C28H28O6 |
|---|---|
| Molecular Weight | 460.19 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.1886 |
| Heavy Atoms | 34 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 437711-44-9 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C3C=CC(OC3=C1O)(C)C)OC4=CC5=C(C=CC(O5)(C)C)C(=C4C2=O)O)C |
| InChIKey | YXCXOSIXGSUDDV-UHFFFAOYSA-N |
Product Overview
Mangostenone A (CAS 437711-44-9), with molecular formula C28H28O6 and molecular weight 460.19 g/mol. IUPAC: 10,15-dihydroxy-7,7,19,19-tetramethyl-11-(3-methylbut-2-enyl)-2,8,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3,5,9,11,14,16(21),17-octaen-13-one.
Chemical Property Profile of Mangostenone A
Property Insights of Mangostenone A
The XLogP value of 6.6 indicates that Mangostenone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Mangostenone A. Following Lipinski's Rule of Five, Mangostenone A has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mangostenone A?
The CAS number of Mangostenone A is 437711-44-9.
What is the molecular formula of Mangostenone A?
The molecular formula of Mangostenone A is C28H28O6.
What is the molecular weight of Mangostenone A?
The molecular weight of Mangostenone A is 460.19 g/mol.
Where can I buy Mangostenone A?
You can request a quote for Mangostenone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mangostenone A?
Yes, KEHONG BIO provides custom synthesis services for Mangostenone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.