TL;DR: (+)-Blebbistatin (CAS 1357164-52-3) is a chemical compound with molecular formula C18H16N2O2 and molecular weight 292.1212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR)-3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Also Known As: (+)-Blebbistatin, (R)-(+)-Blebbistatin, Blebbistatin, Blebbistatin, (+)-, (+/-)-Blebbistatin
| Molecular Formula | C18H16N2O2 |
| Molecular Weight | 292.1212 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.1212 Da |
| Heavy Atoms | 22 |
| Complexity | 497.0 |
| SMILES | CC1=CC2=C(C=C1)N=C3[C@@](C2=O)(CCN3C4=CC=CC=C4)O |
| InChIKey | LZAXPYOBKSJSEX-SFHVURJKSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Blebbistatin. With a topological polar surface area (TPSA) of 52.9 Ų, (+)-Blebbistatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-Blebbistatin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (+)-Blebbistatin is 1357164-52-3.
The molecular formula of (+)-Blebbistatin is C18H16N2O2.
The molecular weight of (+)-Blebbistatin is 292.1212 g/mol.
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