2,2'-Dimethyl-1,1'-bianthraquinone
TL;DR: 2,2'-Dimethyl-1,1'-bianthraquinone (CAS 81-26-5) is a chemical compound with molecular formula C30H18O4 and molecular weight 442.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(2-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione
Also Known As: Dichinyl, Dimethyldianthronyl, 2,2'-Dimethyl-1,1'-bianthraquinone, 2,1'-bianthraquinone, 1, 2,2'-dimethyl-
| Molecular Formula | C30H18O4 |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 442.1205 |
| Heavy Atoms | 34 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 81-26-5 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C4=C(C=CC5=C4C(=O)C6=CC=CC=C6C5=O)C |
| InChIKey | SOHQSWHUIQYXPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Dimethyl-1,1'-bianthraquinone (CAS 81-26-5), with molecular formula C30H18O4 and molecular weight 442.12 g/mol. IUPAC: 2-methyl-1-(2-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione.
Chemical Property Profile of 2,2'-Dimethyl-1,1'-bianthraquinone
Property Insights of 2,2'-Dimethyl-1,1'-bianthraquinone
The XLogP value of 6.2 indicates that 2,2'-Dimethyl-1,1'-bianthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Dimethyl-1,1'-bianthraquinone. Following Lipinski's Rule of Five, 2,2'-Dimethyl-1,1'-bianthraquinone has 0 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 2,2'-Dimethyl-1,1'-bianthraquinone?
The CAS number of 2,2'-Dimethyl-1,1'-bianthraquinone is 81-26-5.
What is the molecular formula of 2,2'-Dimethyl-1,1'-bianthraquinone?
The molecular formula of 2,2'-Dimethyl-1,1'-bianthraquinone is C30H18O4.
What is the molecular weight of 2,2'-Dimethyl-1,1'-bianthraquinone?
The molecular weight of 2,2'-Dimethyl-1,1'-bianthraquinone is 442.12 g/mol.
Where can I buy 2,2'-Dimethyl-1,1'-bianthraquinone?
You can request a quote for 2,2'-Dimethyl-1,1'-bianthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Dimethyl-1,1'-bianthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dimethyl-1,1'-bianthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.