TL;DR: 7-Cmicc (CAS 141912-84-7) is a chemical compound with molecular formula C21H18ClN7O5S2 and molecular weight 547.0499 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6S,7S)-7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-2-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also Known As: 7-Cmicc, 7-(2-(2-Amino-5-chlorothiazol-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)-pyridinium-1-yl)methyl-3-cephem-4-carboxylate, (6S,7S)-7-[[(2E)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[1,5-a]pyridin-2-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate, 7-(2-(2-amino-5-chlorothiazol-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)-pyridinium-1-yl)methy, Imidazo(1,5-a)pyridinium, 2-((7-(((2-amino-5-chloro-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-
| Molecular Formula | C21H18ClN7O5S2 |
| Molecular Weight | 547.0499 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 212.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 547.0499 Da |
| Heavy Atoms | 36 |
| Complexity | 994.0 |
| SMILES | CO/N=C(\C1=C(SC(=N1)N)Cl)/C(=O)N[C@@H]2[C@H]3N(C2=O)C(=C(CS3)C[N+]4=CN5C=CC=CC5=C4)C(=O)[O-] |
| InChIKey | MGLLCPSQOKQEAM-PNJTVJIISA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Cmicc. The TPSA of 212.0 Ų indicates high polarity, suggesting 7-Cmicc may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Cmicc has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 7-Cmicc is 141912-84-7.
The molecular formula of 7-Cmicc is C21H18ClN7O5S2.
The molecular weight of 7-Cmicc is 547.0499 g/mol.
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