TL;DR: Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-3-propoxy-, hydrobromide (CAS 126806-97-1) is a chemical compound with molecular formula C17H26BrNO2 and molecular weight 355.1147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine;hydrobromide
Also Known As: Octahydro-3-phenyl-3-propoxypyrido(2,1-c)(1,4)oxazine hydrobromide, Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-3-propoxy-, hydrobromide, [4-Methyl-5-[(Z)-phenylimino]-[1,2,4]dithiazolidin-(3Z)-ylidene]-(4-nitro-phenyl)-amine, 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine hydrobromide, 3-phenyl-3-propoxy-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazine,hydrobromide
| Molecular Formula | C17H26BrNO2 |
| Molecular Weight | 355.1147 g/mol |
| XLogP | 3.7286 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.1147 Da |
| Heavy Atoms | 21 |
| Complexity | 303.0 |
| SMILES | CCCOC1(CN2CCCCC2CO1)C3=CC=CC=C3.Br |
| InChIKey | XSVPGFRAMPZORF-UHFFFAOYSA-N |
The XLogP value of 3.7286 indicates that Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-3-propoxy-, hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-3-propoxy-, hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-3-propoxy-, hydrobromide 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 Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-3-propoxy-, hydrobromide is 126806-97-1.
The molecular formula of Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-3-propoxy-, hydrobromide is C17H26BrNO2.
The molecular weight of Pyrido(2,1-c)(1,4)oxazine, octahydro-3-phenyl-3-propoxy-, hydrobromide is 355.1147 g/mol.
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