TL;DR: Carbazole, 1,2,3,4-tetrahydro-6-chloro-9-(2-pyrrolidinoethyl)-, oxalate (CAS 41734-61-6) is a chemical compound with molecular formula C20H25ClN2O4 and molecular weight 392.1503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-9-(2-pyrrolidin-1-ium-1-ylethyl)-1,2,3,4-tetrahydrocarbazole;2-hydroxy-2-oxoacetate
Also Known As: 1,2,3,4-Tetrahydro-6-chloro-9-(2-pyrrolidinoethyl)carbazole oxalate, CARBAZOLE, 1,2,3,4-TETRAHYDRO-6-CHLORO-9-(2-PYRROLIDINOETHYL)-, OXALATE, 6-chloro-9-(2-pyrrolidin-1-ium-1-ylethyl)-1,2,3,4-tetrahydrocarbazole;2-hydroxy-2-oxoacetate, 1-[2-(6-Chloro-1,2,3,4-tetrahydro-9H-carbazol-9-yl)ethyl]pyrrolidin-1-ium hydrogen ethanedioate, 1H-Carbazole, 6-chloro-2,3,4,9-tetrahydro-9-[2-(1-pyrrolidinyl)ethyl]-, ethanedioate (1:1)
| Molecular Formula | C20H25ClN2O4 |
| Molecular Weight | 392.1503 g/mol |
| XLogP | 0.67 |
| Topological Polar Surface Area (TPSA) | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.1503 Da |
| Heavy Atoms | 27 |
| Complexity | 433.0 |
| SMILES | C1CCC2=C(C1)C3=C(N2CC[NH+]4CCCC4)C=CC(=C3)Cl.C(=O)(C(=O)[O-])O |
| InChIKey | VHLLRWQOJRGLRL-UHFFFAOYSA-N |
The XLogP value of 0.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbazole, 1,2,3,4-tetrahydro-6-chloro-9-(2-pyrrolidinoethyl)-, oxalate. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbazole, 1,2,3,4-tetrahydro-6-chloro-9-(2-pyrrolidinoethyl)-, oxalate. Following Lipinski's Rule of Five, Carbazole, 1,2,3,4-tetrahydro-6-chloro-9-(2-pyrrolidinoethyl)-, oxalate 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 Carbazole, 1,2,3,4-tetrahydro-6-chloro-9-(2-pyrrolidinoethyl)-, oxalate is 41734-61-6.
The molecular formula of Carbazole, 1,2,3,4-tetrahydro-6-chloro-9-(2-pyrrolidinoethyl)-, oxalate is C20H25ClN2O4.
The molecular weight of Carbazole, 1,2,3,4-tetrahydro-6-chloro-9-(2-pyrrolidinoethyl)-, oxalate is 392.1503 g/mol.
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