TL;DR: 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1,1-dimethyl-2-((2-methyl-1-piperidinyl)ethyl) ester, hydrochloride, (+-)- (CAS 147528-33-4) is a chemical compound with molecular formula C27H32ClNO4 and molecular weight 469.202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-methyl-1-(2-methylpiperidin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
Also Known As: 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1,1-dimethyl-2-((2-methyl-1-piperidinyl)ethyl) ester, hydrochloride, (+-)-, [2-methyl-1-(2-methylpiperidin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate hydrochloride, 2-Methyl-1-(2-methylpiperidin-1-yl)propan-2-yl 3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxylate--hydrogen chloride (1/1)
| Molecular Formula | C27H32ClNO4 |
| Molecular Weight | 469.202 g/mol |
| XLogP | 6.00002 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.202 Da |
| Heavy Atoms | 33 |
| Complexity | 736.0 |
| SMILES | CC1CCCCN1CC(C)(C)OC(=O)C2=CC=CC3=C2OC(=C(C3=O)C)C4=CC=CC=C4.Cl |
| InChIKey | SNKALPLTRYCSLY-UHFFFAOYSA-N |
The XLogP value of 6.00002 indicates that 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1,1-dimethyl-2-((2-methyl-1-piperidinyl)ethyl) ester, hydrochloride, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1,1-dimethyl-2-((2-methyl-1-piperidinyl)ethyl) ester, hydrochloride, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1,1-dimethyl-2-((2-methyl-1-piperidinyl)ethyl) ester, hydrochloride, (+-)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1,1-dimethyl-2-((2-methyl-1-piperidinyl)ethyl) ester, hydrochloride, (+-)- is 147528-33-4.
The molecular formula of 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1,1-dimethyl-2-((2-methyl-1-piperidinyl)ethyl) ester, hydrochloride, (+-)- is C27H32ClNO4.
The molecular weight of 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 1,1-dimethyl-2-((2-methyl-1-piperidinyl)ethyl) ester, hydrochloride, (+-)- is 469.202 g/mol.
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