TL;DR: 2-(4-Morpholinylmethyl)phenyl (2,4,6-trimethylphenyl)carbamate hydrochloride (CAS 130533-78-7) is a chemical compound with molecular formula C21H27ClN2O3 and molecular weight 390.17102 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(morpholin-4-ylmethyl)phenyl] N-(2,4,6-trimethylphenyl)carbamate;hydrochloride
Also Known As: 2-(4-Morpholinylmethyl)phenyl (2,4,6-trimethylphenyl)carbamate hydrochloride, Carbamic acid, (2,4,6-trimethylphenyl)-, 2-(4-morpholinylmethyl)phenyl ester, monohydrochloride, [2-(morpholin-4-ylmethyl)phenyl] N-(2,4,6-trimethylphenyl)carbamate hydrochloride, 2-[(Morpholin-4-yl)methyl]phenyl (2,4,6-trimethylphenyl)carbamate--hydrogen chloride (1/1)
| Molecular Formula | C21H27ClN2O3 |
| Molecular Weight | 390.17102 g/mol |
| XLogP | 4.47676 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.17102 Da |
| Heavy Atoms | 27 |
| Complexity | 441.0 |
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)OC2=CC=CC=C2CN3CCOCC3)C.Cl |
| InChIKey | LAWYVYOILOAEBO-UHFFFAOYSA-N |
The XLogP value of 4.47676 indicates that 2-(4-Morpholinylmethyl)phenyl (2,4,6-trimethylphenyl)carbamate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 2-(4-Morpholinylmethyl)phenyl (2,4,6-trimethylphenyl)carbamate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Morpholinylmethyl)phenyl (2,4,6-trimethylphenyl)carbamate hydrochloride has 2 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-(4-Morpholinylmethyl)phenyl (2,4,6-trimethylphenyl)carbamate hydrochloride is 130533-78-7.
The molecular formula of 2-(4-Morpholinylmethyl)phenyl (2,4,6-trimethylphenyl)carbamate hydrochloride is C21H27ClN2O3.
The molecular weight of 2-(4-Morpholinylmethyl)phenyl (2,4,6-trimethylphenyl)carbamate hydrochloride is 390.17102 g/mol.
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