TL;DR: LY 215890 (CAS 153502-35-3) is a chemical compound with molecular formula C13H12ClN5O5S and molecular weight 385.02478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Also Known As: LY 215890, (6R)-7alpha-[[(Z)-2-(2-Amino-4-thiazolyl)-2-(hydroxyimino)acetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-7-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetamido]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, T27898
| Molecular Formula | C13H12ClN5O5S |
| Molecular Weight | 385.02478 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.02478 Da |
| Heavy Atoms | 25 |
| Complexity | 698.0 |
| SMILES | C1CC(=C(N2[C@H]1[C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O)Cl |
| InChIKey | FIWZSPHSVMRFPH-RGWHBOHISA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for LY 215890. The TPSA of 186.0 Ų indicates high polarity, suggesting LY 215890 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, LY 215890 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of LY 215890 is 153502-35-3.
The molecular formula of LY 215890 is C13H12ClN5O5S.
The molecular weight of LY 215890 is 385.02478 g/mol.
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