TL;DR: BAS 00608523 (CAS 1260157-00-3) is a chemical compound with molecular formula C14H17N6O2S- and molecular weight 333.11337 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
Also Known As: BAS 00608523, Benzenesulfonamide, N-(4,6-dimethyl-2-pyrimidinyl)-4-[(1E)-3,3-dimethyl-1-triazen-1-yl]-, ion(1-), [4-(dimethylaminodiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide, (4,6-Dimethylpyrimidin-2-yl){4-[(1E)-3,3-dimethyltriaz-1-en-1-yl]benzene-1-sulfonyl}azanide
| Molecular Formula | C14H17N6O2S- |
| Molecular Weight | 333.11337 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.11337 Da |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
| SMILES | CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N=NN(C)C)C |
| InChIKey | QYTLJIYQLQKEPQ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00608523. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00608523. Following Lipinski's Rule of Five, BAS 00608523 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 00608523 is 1260157-00-3.
The molecular formula of BAS 00608523 is C14H17N6O2S-.
The molecular weight of BAS 00608523 is 333.11337 g/mol.
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