3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one
TL;DR: 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one (CAS 3736-60-5) is a chemical compound with molecular formula C30H36O4 and molecular weight 460.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,10-trihydroxy-7-methyl-1,1,8-tris(3-methylbut-2-enyl)anthracen-2-one
Also Known As: Harunganin, 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one, 4,5,10-trihydroxy-7-methyl-1,1,8-tris(3-methylbut-2-enyl)anthracen-2-one, 3,8,9-trihydroxy-6-methyl-4,4,5-tris anthracen-1 -one, 4,5,10-trihydroxy-7-methyl-1,1,8-tris(3-methylbut-2-en-1-yl)anthracen-2(1h)-one
| Molecular Formula | C30H36O4 |
|---|---|
| Molecular Weight | 460.26 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.26135 |
| Heavy Atoms | 34 |
| Complexity | 859.0 |
Chemical Identifiers
| CAS Number | 3736-60-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1CC=C(C)C)C=C3C(=C2O)C(=CC(=O)C3(CC=C(C)C)CC=C(C)C)O)O |
| InChIKey | SWTXVTYSWPYCIX-UHFFFAOYSA-N |
Product Overview
3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one (CAS 3736-60-5), with molecular formula C30H36O4 and molecular weight 460.26 g/mol. IUPAC: 4,5,10-trihydroxy-7-methyl-1,1,8-tris(3-methylbut-2-enyl)anthracen-2-one.
Chemical Property Profile of 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one
Property Insights of 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one
The XLogP value of 8.4 indicates that 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one. Following Lipinski's Rule of Five, 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one?
The CAS number of 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one is 3736-60-5.
What is the molecular formula of 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one?
The molecular formula of 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one is C30H36O4.
What is the molecular weight of 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one?
The molecular weight of 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one is 460.26 g/mol.
Where can I buy 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one?
You can request a quote for 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,8,9-Trihydroxy-6-methyl-4,4,5-tris(3-methylbut-2-enyl)anthracen-1(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.