TL;DR: 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid (CAS 105895-74-7) is a chemical compound with molecular formula C20H19N3O11S3 and molecular weight 573.0182 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-acetamido-4-hydroxy-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid
Also Known As: 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid, (3Z)-6-acetamido-4-oxo-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid, 6-acetamido-4-oxo-3-[[3-(2-sulfooxyethylsulfonyl)phenyl]hydrazinylidene]naphthalene-2-sulfonic acid
| Molecular Formula | C20H19N3O11S3 |
| Molecular Weight | 573.0182 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 251.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 573.0182 Da |
| Heavy Atoms | 37 |
| Complexity | 1160.0 |
| SMILES | CC(=O)NC1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)O)N=NC3=CC(=CC=C3)S(=O)(=O)CCOS(=O)(=O)O)O |
| InChIKey | POHXOGRTDQNNFM-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid. The TPSA of 251.0 Ų indicates high polarity, suggesting 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid is 105895-74-7.
The molecular formula of 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid is C20H19N3O11S3.
The molecular weight of 6-Acetamido-4-hydroxy-3-({3-[2-(sulfooxy)ethanesulfonyl]phenyl}diazenyl)naphthalene-2-sulfonic acid is 573.0182 g/mol.
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