TL;DR: Carbamic acid, (2-(heptyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride (CAS 113873-74-8) is a chemical compound with molecular formula C23H39ClN2O3 and molecular weight 426.26492 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[(dimethylamino)methyl]cyclohexyl] N-(2-heptoxyphenyl)carbamate;hydrochloride
Also Known As: Carbamic acid, (2-(heptyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride, [1-(dimethylaminomethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate hydrochloride, 1-[(Dimethylamino)methyl]cyclohexyl [2-(heptyloxy)phenyl]carbamate--hydrogen chloride (1/1)
| Molecular Formula | C23H39ClN2O3 |
| Molecular Weight | 426.26492 g/mol |
| XLogP | 6.2706 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.26492 Da |
| Heavy Atoms | 29 |
| Complexity | 436.0 |
| SMILES | CCCCCCCOC1=CC=CC=C1NC(=O)OC2(CCCCC2)CN(C)C.Cl |
| InChIKey | NHKJLIVEMYZSNN-UHFFFAOYSA-N |
The XLogP value of 6.2706 indicates that Carbamic acid, (2-(heptyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, 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, Carbamic acid, (2-(heptyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, (2-(heptyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Carbamic acid, (2-(heptyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride is 113873-74-8.
The molecular formula of Carbamic acid, (2-(heptyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride is C23H39ClN2O3.
The molecular weight of Carbamic acid, (2-(heptyloxy)phenyl)-, 1-((dimethylamino)methyl)cyclohexyl ester, hydrochloride is 426.26492 g/mol.
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