TL;DR: N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide (CAS 1005268-64-3) is a chemical compound with molecular formula C29H28N2O3 and molecular weight 452.21 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
Also Known As: N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide, AH-487/42143307, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-10-PHENYL-9-AZATETRACYCLO[10.2.1.0(2),(1)(1).0(3),?]PENTADECA-3,5,7-TRIENE-5-CARBOXAMIDE, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-10-phenyl-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxamide
| Molecular Formula | C29H28N2O3 |
| Molecular Weight | 452.21 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.21 Da |
| Heavy Atoms | 34 |
| Complexity | 754.0 |
| SMILES | C1CC2CC1C3C2C4=C(C=CC(=C4)C(=O)NC5=CC6=C(C=C5)OCCO6)NC3C7=CC=CC=C7 |
| InChIKey | FUOXJMCDOJWLNF-UHFFFAOYSA-N |
The XLogP value of 5.8 indicates that N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide is 1005268-64-3.
The molecular formula of N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide is C29H28N2O3.
The molecular weight of N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-5,6,6a,7,8,9,10,10a-octahydro-7,10-methanophenanthridine-2-carboxamide is 452.21 g/mol.
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