TL;DR: C23H19N3O7 (CAS 1013987-08-0) is a chemical compound with molecular formula C23H19N3O7 and molecular weight 449.1223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1S,11S,12R,16S)-14-(2-methoxy-5-nitrophenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxylate
Also Known As: (8S,8aR,11aS,11bS)-methyl 10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate, methyl (8S,8aR,11aS,11bS)-10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxylate
| Molecular Formula | C23H19N3O7 |
| Molecular Weight | 449.1223 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.1223 Da |
| Heavy Atoms | 33 |
| Complexity | 886.0 |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H]3[C@@H](C2=O)[C@H](N4[C@@H]3C5=CC=CC=C5C=C4)C(=O)OC |
| InChIKey | MESZIFLUINCVJA-NMLBUPMWSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C23H19N3O7. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H19N3O7. Following Lipinski's Rule of Five, C23H19N3O7 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of C23H19N3O7 is 1013987-08-0.
The molecular formula of C23H19N3O7 is C23H19N3O7.
The molecular weight of C23H19N3O7 is 449.1223 g/mol.
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