TL;DR: SR 44337 (CAS 122289-21-8) is a chemical compound with molecular formula C23H27Cl2N7O10S3 and molecular weight 727.0359 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6R,7R)-3-[[4-(2-aminoethylsulfonylamino)-3-hydroxybenzoyl]oxymethyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrochloride
Also Known As: SR 44337, (6R,7R)-3-[[4-(2-Aminoethylsulfonylamino)-3-hydroxybenzoyl]oxymethyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrochloride, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((4-(((2-aminoethyl)sulfonyl)amino)-3-hydroxybenzoyl)oxy)methyl)-7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-8-oxo-, dihydrochloride, (6R-(6alpha,7beta(Z)))-, 7-2-(2-Amino-4-thiazolyl)-2-methoxyiminoacetamido-3-4-(2-aminoethylsulfonamido)-3-hydroxybenzoyloxymethyl-3-cephem-3-carboxylic acid
| Molecular Formula | C23H27Cl2N7O10S3 |
| Molecular Weight | 727.0359 g/mol |
| XLogP | -0.079 |
| Topological Polar Surface Area (TPSA) | 328.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 13 |
| Exact Mass | 727.0359 Da |
| Heavy Atoms | 45 |
| Complexity | 1290.0 |
| SMILES | CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C4=CC(=C(C=C4)NS(=O)(=O)CCN)O)C(=O)O.Cl.Cl |
| InChIKey | MBOSUUFPSTZLRU-MMZRWCAGSA-N |
The XLogP value of -0.079 indicates that SR 44337 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 328.0 Ų indicates high polarity, suggesting SR 44337 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, SR 44337 has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of SR 44337 is 122289-21-8.
The molecular formula of SR 44337 is C23H27Cl2N7O10S3.
The molecular weight of SR 44337 is 727.0359 g/mol.
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