TL;DR: ME 1220 (CAS 106061-25-0) is a chemical compound with molecular formula C22H22N6O7S3 and molecular weight 578.0712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[[(6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]pyridin-1-ium-1-yl]acetate
Also Known As: ME 1220, 2-[4-[[(6S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methylsulfanyl]pyridin-1-ium-1-yl]acetate, (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-ethoxyiminoacetyl]amino]-3-[[1-(carboxymethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, Pyridinium, 4-(((7-(((2-amino-4-thiazolyl)(ethoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)thio)-1-(carboxymethyl)-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-
| Molecular Formula | C22H22N6O7S3 |
| Molecular Weight | 578.0712 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 270.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 578.0712 Da |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
| SMILES | CCO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3)CSC4=CC=[N+](C=C4)CC(=O)[O-])C(=O)O |
| InChIKey | KVOGDGBIJZGUHF-ZIHJSPIMSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ME 1220. The TPSA of 270.0 Ų indicates high polarity, suggesting ME 1220 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ME 1220 has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ME 1220 is 106061-25-0.
The molecular formula of ME 1220 is C22H22N6O7S3.
The molecular weight of ME 1220 is 578.0712 g/mol.
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