2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)
TL;DR: 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) (CAS 96293-51-5) is a chemical compound with molecular formula C17H12CaN2O7S2 and molecular weight 459.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 6-hydroxy-5-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
Also Known As: 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1), 2-Naphthalenesulfonic acid, 6-hydroxy-5-(2-(4-methyl-2-sulfophenyl)diazenyl)-, calcium salt (1:1), 2-Naphthalenesulfonic acid, 6-hydroxy-5-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1), 2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(4-methyl-2-sulfophenyl)diazenyl]-, calcium salt (1:1), calcium (5E)-5-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate
| Molecular Formula | C17H12CaN2O7S2 |
|---|---|
| Molecular Weight | 459.97 g/mol |
| LogP | 2.69662 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 459.9712 |
| Heavy Atoms | 29 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 96293-51-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Ca+2] |
| InChIKey | VVHHIBAMAPTQPI-UHFFFAOYSA-L |
Product Overview
2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) (CAS 96293-51-5), with molecular formula C17H12CaN2O7S2 and molecular weight 459.97 g/mol. IUPAC: calcium 6-hydroxy-5-[(4-methyl-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate.
Chemical Property Profile of 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)
Property Insights of 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)
The XLogP value of 2.69662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1). The TPSA of 176.0 Ų indicates high polarity, suggesting 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)?
The CAS number of 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) is 96293-51-5.
What is the molecular formula of 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)?
The molecular formula of 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) is C17H12CaN2O7S2.
What is the molecular weight of 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)?
The molecular weight of 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) is 459.97 g/mol.
Where can I buy 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)?
You can request a quote for 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenesulfonic acid, 6-hydroxy-5-((4-methyl-2-sulfophenyl)azo)-, calcium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.