TL;DR: (2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate (CAS 1212253-74-1) is a chemical compound with molecular formula C27H22FNO4 and molecular weight 443.1533 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
Also Known As: (2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate, 2-(methoxycarbonyl)phenyl 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
| Molecular Formula | C27H22FNO4 |
| Molecular Weight | 443.1533 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.1533 Da |
| Heavy Atoms | 33 |
| Complexity | 748.0 |
| SMILES | COC(=O)C1=CC=CC=C1OC(=O)C2=CC3=C(C=C2)NC(C4C3C=CC4)C5=CC=C(C=C5)F |
| InChIKey | DDCRWQPCZQRMBM-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that (2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate. Following Lipinski's Rule of Five, (2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate is 1212253-74-1.
The molecular formula of (2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate is C27H22FNO4.
The molecular weight of (2-methoxycarbonylphenyl) 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate is 443.1533 g/mol.
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