TL;DR: Fluorene-9-carboxylic acid, 2-(dibutylamino)propyl ester, hydrochloride (CAS 63918-45-6) is a chemical compound with molecular formula C25H34ClNO2 and molecular weight 415.2278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibutyl-[3-(9H-fluorene-9-carbonyloxy)propyl]azanium chloride
Also Known As: 2-(Di-n-butylamino)propyl 9-fluorenecarboxylate hydrochloride, dibutyl-[3-(9H-fluorene-9-carbonyloxy)propyl]azanium chloride, FLUORENE-9-CARBOXYLIC ACID, 2-(DIBUTYLAMINO)PROPYL ESTER, HYDROCHLORIDE, 9H-Fluorene-9-carboxylic acid, 2-(dibutylamino)propyl ester, hydrochloride
| Molecular Formula | C25H34ClNO2 |
| Molecular Weight | 415.2278 g/mol |
| XLogP | 1.22 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 415.2278 Da |
| Heavy Atoms | 29 |
| Complexity | 435.0 |
| SMILES | CCCC[NH+](CCCC)CCCOC(=O)C1C2=CC=CC=C2C3=CC=CC=C13.[Cl-] |
| InChIKey | BWRQEAMLTRYHGB-UHFFFAOYSA-N |
The XLogP value of 1.22 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fluorene-9-carboxylic acid, 2-(dibutylamino)propyl ester, hydrochloride. With a topological polar surface area (TPSA) of 30.7 Ų, Fluorene-9-carboxylic acid, 2-(dibutylamino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fluorene-9-carboxylic acid, 2-(dibutylamino)propyl ester, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Fluorene-9-carboxylic acid, 2-(dibutylamino)propyl ester, hydrochloride is 63918-45-6.
The molecular formula of Fluorene-9-carboxylic acid, 2-(dibutylamino)propyl ester, hydrochloride is C25H34ClNO2.
The molecular weight of Fluorene-9-carboxylic acid, 2-(dibutylamino)propyl ester, hydrochloride is 415.2278 g/mol.
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