TL;DR: Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)- (CAS 156693-48-0) is a chemical compound with molecular formula C21H32N2O2 and molecular weight 344.24637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(9-ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl) N-hexylcarbamate
Also Known As: Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)-, 2-Ethyl-5-methyl-2,3,4,5-tetrahydro-1H-1,5-methano-2-benzazepin-7-yl hydrogen hexylcarbonimidate, 9-ethyl-1-methyl-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl N-hexylcarbamate, Hexyl-carbamic acid 9-ethyl-1-methyl-9-aza-tricyclo[6.3.1.0*2,7*]dodeca-2,4,6-trien-4-yl ester, N-Hexylcarbamic acid (2,3,4,5-tetrahydro-2-ethyl-5-methyl-1,5-methano-1H-2-benzazepin)-7-yl ester
| Molecular Formula | C21H32N2O2 |
| Molecular Weight | 344.24637 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.24637 Da |
| Heavy Atoms | 25 |
| Complexity | 455.0 |
| SMILES | CCCCCCNC(=O)OC1=CC2=C(C=C1)C3CC2(CCN3CC)C |
| InChIKey | KLEWHGJJTJIPNR-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)- 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 Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)- is 156693-48-0.
The molecular formula of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)- is C21H32N2O2.
The molecular weight of Carbamic acid, hexyl-, 2-ethyl-2,3,4,5-tetrahydro-5-methyl-1,5-methano-1H-2-benzazepin-7-yl ester, (+-)- is 344.24637 g/mol.
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