TL;DR: 1H-Pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)- (CAS 146204-55-9) is a chemical compound with molecular formula C22H22ClFN2 and molecular weight 368.14557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrole
Also Known As: 1H-Pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)-, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-[(pyrrolidin-1-yl)methyl]-1H-pyrrole, 1-(4-Fluorophenyl)-5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrole
| Molecular Formula | C22H22ClFN2 |
| Molecular Weight | 368.14557 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 8.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.14557 Da |
| Heavy Atoms | 26 |
| Complexity | 439.0 |
| SMILES | CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl)CN4CCCC4 |
| InChIKey | ZXLCHEUDARWURO-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 1H-Pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.2 Ų, 1H-Pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1H-Pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)- is 146204-55-9.
The molecular formula of 1H-Pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)- is C22H22ClFN2.
The molecular weight of 1H-Pyrrole, 5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)- is 368.14557 g/mol.
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