4,4'-Dibenzamido-2,2'-stilbenedisulfonic acid

Base Information

• Chemical Name: 4,4'-Dibenzamido-2,2'-stilbenedisulfonic acid
• CAS No.: 7342-14-5
• Molecular Formula: C28H22 N2 O8 S2
• Molecular Weight: 578.61
• Nikkaji Number: J661.117F
• Mol file: 7342-14-5.mol

Synonyms:4,4'-dibenzamido-2,2'-disulfonic stilbene;4,4'-dibenzamido-2,2'-stilbenedisulfonic acid;4,4'-dibenzamido-2,2'-stilbenedisulfonic acid, disodium salt;DBDS

Chemical Property of 4,4'-Dibenzamido-2,2'-stilbenedisulfonic acid

Chemical Property:

• PKA: -1.03±0.45(Predicted)
• PSA: 183.70000
• Density: 1.539±0.06 g/cm3(Predicted)
• LogP: 7.16260
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 578.08175801
• Heavy Atom Count: 40
• Complexity: 1030

Purity/Quality:

99%min ^*data from raw suppliers

4,4''-Dibenzamido-2,2''-disulfostilbene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)O)S(=O)(=O)O
• Uses: 4,4''-Dibenzamido-2,2''-disulfostilbene is an anion/proton co-transport (APCT) inhibitor which binds specifically to band 3.