Cassiamin C
TL;DR: Cassiamin C (CAS 27567-11-9) is a chemical compound with molecular formula C30H18O8 and molecular weight 506.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methylanthracene-9,10-dione
Also Known As: Cassiamin C, 2-(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methylanthracene-9,10-dione, 1,1 ,8,8 -Tetrahydroxy-3,3 -dimethyl-2,2 -bi[9,10-anthraquinone], 1,1',8,8'-Tetrahydroxy-3,3'-dimethyl[2,2'-bianthracene]-9,9',10,10'-tetrone, 1,1 ,8,8 -Tetrahydroxy-3,3 -dimethyl[2,2 -bianthracene]-9,9 ,10,10 -tetrone
| Molecular Formula | C30H18O8 |
|---|---|
| Molecular Weight | 506.10 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 506.10016 |
| Heavy Atoms | 38 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 27567-11-9 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C(=O)C5=C(C4=O)C(=CC=C5)O)O)O)C(=O)C6=C(C2=O)C=CC=C6O |
| InChIKey | VUPMYTWJSPRETC-UHFFFAOYSA-N |
Product Overview
Cassiamin C (CAS 27567-11-9), with molecular formula C30H18O8 and molecular weight 506.10 g/mol. IUPAC: 2-(1,8-dihydroxy-3-methyl-9,10-dioxoanthracen-2-yl)-1,8-dihydroxy-3-methylanthracene-9,10-dione.
Chemical Property Profile of Cassiamin C
Property Insights of Cassiamin C
The XLogP value of 5.9 indicates that Cassiamin C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Cassiamin C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cassiamin C has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cassiamin C?
The CAS number of Cassiamin C is 27567-11-9.
What is the molecular formula of Cassiamin C?
The molecular formula of Cassiamin C is C30H18O8.
What is the molecular weight of Cassiamin C?
The molecular weight of Cassiamin C is 506.10 g/mol.
Where can I buy Cassiamin C?
You can request a quote for Cassiamin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cassiamin C?
Yes, KEHONG BIO provides custom synthesis services for Cassiamin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.