TL;DR: FR 66973 (CAS 114580-45-9) is a chemical compound with molecular formula C20H21N3O9 and molecular weight 447.12778 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[11-acetyl-9-acetyloxy-8-(carbamoyloxymethyl)-4-formyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-6-yl] acetate
Also Known As: FR 66973, FK973, FK 973, 3,9-Epoxy-3H-azirino(2,3-c)(1)benzazocine-5-carboxaldehyde, 1-acetyl-7,9-bis(acetyloxy)-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,9,9a-hexahydro-, 11-Acetyl-4-formyl-8-carbamoyloxymethyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12 ]tetradeca-2,4,6-trien-6,9-diyl diacetate
| Molecular Formula | C20H21N3O9 |
| Molecular Weight | 447.12778 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.12778 Da |
| Heavy Atoms | 32 |
| Complexity | 850.0 |
| SMILES | CC(=O)N1C2C1C3(C(C4=C(C=C(C=C4OC(=O)C)C=O)N(C2)O3)COC(=O)N)OC(=O)C |
| InChIKey | FBXPCVIKIBWXAE-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that FR 66973 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting FR 66973 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FR 66973 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of FR 66973 is 114580-45-9.
The molecular formula of FR 66973 is C20H21N3O9.
The molecular weight of FR 66973 is 447.12778 g/mol.
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