TL;DR: Modr kresylova (CAS 63834-21-9) is a chemical compound with molecular formula C15H16ClN3O and molecular weight 289.09818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(7-amino-2-methylphenoxazin-3-ylidene)-dimethylazanium chloride
Also Known As: Modr kresylova, Brilliant Cresyl Blue, Kresylblau, Kresylblau [German], Brilliant Cresyl Purple
| Molecular Formula | C15H16ClN3O |
| Molecular Weight | 289.09818 g/mol |
| XLogP | -1.14 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 289.09818 Da |
| Heavy Atoms | 20 |
| Complexity | 524.0 |
| SMILES | CC1=CC2=NC3=C(C=C(C=C3)N)OC2=CC1=[N+](C)C.[Cl-] |
| InChIKey | AMVGQNFLBRUCGF-UHFFFAOYSA-N |
The XLogP value of -1.14 indicates that Modr kresylova is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.6 Ų, Modr kresylova exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Modr kresylova has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Modr kresylova is 63834-21-9.
The molecular formula of Modr kresylova is C15H16ClN3O.
The molecular weight of Modr kresylova is 289.09818 g/mol.
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