TL;DR: Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate (CAS 59297-04-0) is a chemical compound with molecular formula C11H8N2O4S and molecular weight 264.02048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-diazonio-5-methoxysulfonylnaphthalen-1-olate
Also Known As: Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate, 2-diazonio-5-methoxysulfonylnaphthalen-1-olate, 2-Diazonio-5-(methoxysulfonyl)naphthalen-1-olate, methyl 6-diazo-5-oxo-5,6-dihydronaphthalene-1-sulfonate, methyl 2-diazo-1-oxo-1,2-dihydronaphthalene-5-sulphonate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H8N2O4S |
| Molecular Weight | 264.02048 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.02048 Da |
| Heavy Atoms | 18 |
| Complexity | 449.0 |
| SMILES | COS(=O)(=O)C1=CC=CC2=C1C=CC(=C2[O-])[N+]#N |
| InChIKey | LKTWGVXHYIBDGK-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate. Following Lipinski's Rule of Five, Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is 59297-04-0.
The molecular formula of Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is C11H8N2O4S.
The molecular weight of Methyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate is 264.02048 g/mol.
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