TL;DR: 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalene (CAS 107914-05-6) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine
Also Known As: 2-Adten, 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalene, 5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-amine, 1,2,3,4-Tetrahydro-5,8-dimethoxy-1,4-epoxynaphthalen-2-amine (1alpha,2alpha,4alpha)-(+-)-, 1,4-Epoxynaphthalen-2-amine,1,2,3,4-tetrahydro-5,8-dimethoxy-, (1R,2S,4R)-rel-
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.1052 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 53.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.1052 Da |
| Heavy Atoms | 16 |
| Complexity | 273.0 |
| SMILES | COC1=C2C3CC(C(C2=C(C=C1)OC)O3)N |
| InChIKey | RHPOKPZQQSMKKC-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalene. With a topological polar surface area (TPSA) of 53.7 Ų, 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalene has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalene is 107914-05-6.
The molecular formula of 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalene is C12H15NO3.
The molecular weight of 2-Amino-5,8-dimethoxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalene is 221.1052 g/mol.
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