TL;DR: Nnc 687 (CAS 14999-33-8) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S)-5-(2,3-dihydro-1-benzofuran-7-yl)-3-methyl-8-nitro-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Also Known As: Nnc 687, Nnc 01-0687, NNC-01-0687, NO 687, CEE 03-310
| Molecular Formula | C19H20N2O4 |
| Molecular Weight | 340.1423 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 340.1423 Da |
| Heavy Atoms | 25 |
| Complexity | 496.0 |
| SMILES | CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC4=C3OCC4)O)[N+](=O)[O-] |
| InChIKey | XZPSYCOYKJRHKE-MRXNPFEDSA-N |
The XLogP value of 3.7 indicates that Nnc 687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Nnc 687. Following Lipinski's Rule of Five, Nnc 687 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Nnc 687 is 14999-33-8.
The molecular formula of Nnc 687 is C19H20N2O4.
The molecular weight of Nnc 687 is 340.1423 g/mol.
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