TL;DR: 1H-Indole-1-acetic acid, 3-((4-fluorophenyl)phenylmethyl)- (CAS 53924-15-5) is a chemical compound with molecular formula C23H18FNO2 and molecular weight 359.13217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[(4-fluorophenyl)-phenylmethyl]indol-1-yl]acetic acid
Also Known As: 3-((4-Fluorophenyl)phenylmethyl)-1H-indole-1-acetic acid, 1H-INDOLE-1-ACETIC ACID, 3-((4-FLUOROPHENYL)PHENYLMETHYL)-, 2-[3-[(4-fluorophenyl)-phenylmethyl]indol-1-yl]acetic acid, {3-[(4-fluorophenyl)(phenyl)methyl]-1H-indol-1-yl}acetic acid
| Molecular Formula | C23H18FNO2 |
| Molecular Weight | 359.13217 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 42.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.13217 Da |
| Heavy Atoms | 27 |
| Complexity | 499.0 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=C(C=C2)F)C3=CN(C4=CC=CC=C43)CC(=O)O |
| InChIKey | VNRNQFRKPNMWBO-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 1H-Indole-1-acetic acid, 3-((4-fluorophenyl)phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.2 Ų, 1H-Indole-1-acetic acid, 3-((4-fluorophenyl)phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-1-acetic acid, 3-((4-fluorophenyl)phenylmethyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1H-Indole-1-acetic acid, 3-((4-fluorophenyl)phenylmethyl)- is 53924-15-5.
The molecular formula of 1H-Indole-1-acetic acid, 3-((4-fluorophenyl)phenylmethyl)- is C23H18FNO2.
The molecular weight of 1H-Indole-1-acetic acid, 3-((4-fluorophenyl)phenylmethyl)- is 359.13217 g/mol.
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