TL;DR: 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]- (CAS 61093-37-6) is a chemical compound with molecular formula C17H15N3O7S2 and molecular weight 437.03516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1,5-disulfonic acid
Also Known As: J3.207.344A, 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]-, 3-[(4-amino-3-methoxyphenyl)diazenyl]naphthalene-1,5-disulfonic acid, 3-(4-amino-3-methoxy-phenyl)diazenylnaphthalene-1,5-disulfonic Acid, 3-[(4-Amino-3-methoxyphenyl)azo]-1,5-naphthalenedisulfonic acid
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H15N3O7S2 |
| Molecular Weight | 437.03516 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.03516 Da |
| Heavy Atoms | 29 |
| Complexity | 806.0 |
| SMILES | COC1=C(C=CC(=C1)N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C(=C2)S(=O)(=O)O)N |
| InChIKey | XCQVRFXKEGDNQY-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]-. The TPSA of 185.0 Ų indicates high polarity, suggesting 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]- has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]- is 61093-37-6.
The molecular formula of 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]- is C17H15N3O7S2.
The molecular weight of 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]- is 437.03516 g/mol.
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