TL;DR: B 1430 (CAS 136996-53-7) is a chemical compound with molecular formula C16H21N3O2S and molecular weight 319.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[2-[(4-methyl-1,3-thiazol-5-yl)oxy]ethyl]piperazin-1-yl]phenol
Also Known As: B 1430, 4-Methyl-5-(2-(4-o-hydroxyphenylpiperazin-1-yl)ethoxy)thiazole hydrochloride, 2-(4-(2-((4-Methyl-5-thiazolyl)oxy)ethyl)-1-piperazinyl)phenol monohydrochloride, Phenol, 2-(4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-1-piperazinyl)-, monohydrochloride, 2-(4-{2-[(4-Methyl-1,3-thiazol-5-yl)oxy]ethyl}piperazin-1-yl)phenol
| Molecular Formula | C16H21N3O2S |
| Molecular Weight | 319.13544 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.13544 Da |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
| SMILES | CC1=C(SC=N1)OCCN2CCN(CC2)C3=CC=CC=C3O |
| InChIKey | BYGJALMSFSOYMD-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for B 1430. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for B 1430. Following Lipinski's Rule of Five, B 1430 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of B 1430 is 136996-53-7.
The molecular formula of B 1430 is C16H21N3O2S.
The molecular weight of B 1430 is 319.13544 g/mol.
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