TL;DR: Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((4-methyl-1-piperazinyl)methyl)cyclohexyl ester, trans- (CAS 130533-60-7) is a chemical compound with molecular formula C22H35N3O2 and molecular weight 373.27292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate
Also Known As: Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((4-methyl-1-piperazinyl)methyl)cyclohexyl ester, trans-, (1R,2S)-2-[(4-Methylpiperazin-1-yl)methyl]cyclohexyl (2,4,6-trimethylphenyl)carbamate, [(1R,2S)-2-[(4-methylpiperazin-1-yl)methyl]cyclohexyl] N-(2,4,6-trimethylphenyl)carbamate, BRN 4238224
| Molecular Formula | C22H35N3O2 |
| Molecular Weight | 373.27292 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.27292 Da |
| Heavy Atoms | 27 |
| Complexity | 466.0 |
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)O[C@@H]2CCCC[C@H]2CN3CCN(CC3)C)C |
| InChIKey | DOZZUJABKKZXTH-VQTJNVASSA-N |
The XLogP value of 4.2 indicates that Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((4-methyl-1-piperazinyl)methyl)cyclohexyl ester, trans- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((4-methyl-1-piperazinyl)methyl)cyclohexyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((4-methyl-1-piperazinyl)methyl)cyclohexyl ester, trans- 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 Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((4-methyl-1-piperazinyl)methyl)cyclohexyl ester, trans- is 130533-60-7.
The molecular formula of Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((4-methyl-1-piperazinyl)methyl)cyclohexyl ester, trans- is C22H35N3O2.
The molecular weight of Carbamic acid, (2,4,6-trimethylphenyl)-, 2-((4-methyl-1-piperazinyl)methyl)cyclohexyl ester, trans- is 373.27292 g/mol.
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