RefChem:446098
TL;DR: RefChem:446098 (CAS 68928-54-1) is a chemical compound with molecular formula C18H14BaN2O7S2 and molecular weight 571.9295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 4-[(2,4-dimethylphenyl)azo]-3-hydroxy-, barium salt (1:1), 2,7-Naphthalenedisulfonic acid, 4-((2,4-dimethylphenyl)azo)-3-hydroxy-, barium salt (1:1), BARIUM 4-[(2,4-DIMETHYLPHENYL)AZO]-3-HYDROXYNAPHTHALENE-2,7-DISULPHONATE, 2,7-Naphthalenedisulfonic acid, 4-(2-(2,4-dimethylphenyl)diazenyl)-3-hydroxy-, barium salt (1:1), Barium 4-((2,4-dimethylphenyl)azo)-3-hydroxynaphthalene-2,7-disulphonate
Technical Specifications
| Molecular Formula | C18H14BaN2O7S2 |
| Molecular Weight | 571.9295 g/mol |
| XLogP | 3.01 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 571.9295 Da |
| Heavy Atoms | 30 |
| Complexity | 791.0 |
| SMILES | CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])C.[Ba+2] |
| InChIKey | OFYJJIAMEPRGRY-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:446098
Property Insights of RefChem:446098
The XLogP value of 3.01 indicates that RefChem:446098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:446098 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446098 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:446098?
The CAS number of RefChem:446098 is 68928-54-1.
What is the molecular formula of RefChem:446098?
The molecular formula of RefChem:446098 is C18H14BaN2O7S2.
What is the molecular weight of RefChem:446098?
The molecular weight of RefChem:446098 is 571.9295 g/mol.
Where can I buy RefChem:446098?
You can request a quote for RefChem:446098 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:446098?
Yes, CoreyChem provides custom synthesis services for RefChem:446098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.