RefChem:564041
TL;DR: RefChem:564041 (CAS 10449-13-5) is a chemical compound with molecular formula C28H22N2O10S2 and molecular weight 610.0716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4,8-dihydroxy-5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonic acid
Also Known As: 4,8-Bis(2-sulfo-p-toluidino)-1,5-dihydroxyanthraquinone, Benzenesulfonic acid, 2,2'-[(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)diimino]bis[5-methyl-, 2-[[4,8-dihydroxy-5-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracen-1-yl]amino]-5-methylbenzenesulfonic acid, Benzenesulfonic acid, 2,2'-((9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)diimino)bis(5-methyl-, 2,2'-[(4,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)diimino]bis(5-methylbenzenesulfonic acid)
Technical Specifications
| Molecular Formula | C28H22N2O10S2 |
| Molecular Weight | 610.0716 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 224.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.0716 Da |
| Heavy Atoms | 42 |
| Complexity | 1150.0 |
| SMILES | CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | DOXXOFOESSOQBZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:564041
Property Insights of RefChem:564041
The XLogP value of 5.7 indicates that RefChem:564041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 224.0 Ų indicates high polarity, suggesting RefChem:564041 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564041 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:564041?
The CAS number of RefChem:564041 is 10449-13-5.
What is the molecular formula of RefChem:564041?
The molecular formula of RefChem:564041 is C28H22N2O10S2.
What is the molecular weight of RefChem:564041?
The molecular weight of RefChem:564041 is 610.0716 g/mol.
Where can I buy RefChem:564041?
You can request a quote for RefChem:564041 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:564041?
Yes, CoreyChem provides custom synthesis services for RefChem:564041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.