RefChem:446064
TL;DR: RefChem:446064 (CAS 68399-74-6) is a chemical compound with molecular formula C20H12BaN2O7S2 and molecular weight 593.9138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
barium(2+);3-hydroxy-4-(naphthalen-1-yldiazenyl)naphthalene-2,7-disulfonate
Also Known As: Barium 3-hydroxy-4-(naphthylazo)naphthalene-2,7-disulphonate, barium3-hydroxy-4- naphthalene-2,7-disulphonate, 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(1-naphthalenylazo)-, barium salt (1:1), 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-(2-(1-naphthalenyl)diazenyl)-, barium salt (1:1), Barium 3-hydroxy-4-(naphthylazo)naphthalene-2,7-disulfonate
Technical Specifications
| Molecular Formula | C20H12BaN2O7S2 |
| Molecular Weight | 593.9138 g/mol |
| XLogP | 3.54 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 593.9138 Da |
| Heavy Atoms | 32 |
| Complexity | 854.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2] |
| InChIKey | HZGFWBIESVONTB-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:446064
Property Insights of RefChem:446064
The XLogP value of 3.54 indicates that RefChem:446064 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:446064 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446064 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:446064?
The CAS number of RefChem:446064 is 68399-74-6.
What is the molecular formula of RefChem:446064?
The molecular formula of RefChem:446064 is C20H12BaN2O7S2.
What is the molecular weight of RefChem:446064?
The molecular weight of RefChem:446064 is 593.9138 g/mol.
Where can I buy RefChem:446064?
You can request a quote for RefChem:446064 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:446064?
Yes, CoreyChem provides custom synthesis services for RefChem:446064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.