TL;DR: Anticancer agent 129 (CAS 135882-37-0) is a chemical compound with molecular formula C18H17N3 and molecular weight 275.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
Also Known As: Anticancer agent 129, Anticancer agent 129?, BAS 00526270, 1-benzyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-amine, 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H17N3 |
| Molecular Weight | 275.14224 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.14224 Da |
| Heavy Atoms | 21 |
| Complexity | 352.0 |
| SMILES | C1CN(C2=NC3=CC=CC=C3C(=C21)N)CC4=CC=CC=C4 |
| InChIKey | ZCZQCKJQIGWLFR-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Anticancer agent 129 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, Anticancer agent 129 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anticancer agent 129 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Anticancer agent 129 is 135882-37-0.
The molecular formula of Anticancer agent 129 is C18H17N3.
The molecular weight of Anticancer agent 129 is 275.14224 g/mol.
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