TL;DR: 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)- (CAS 53924-09-7) is a chemical compound with molecular formula C22H17NO2 and molecular weight 327.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzhydryl-1H-indole-2-carboxylic acid
Also Known As: 3-(Diphenylmethyl)-1H-indole-2-carboxylic acid, 3-benzhydryl-1H-indole-2-carboxylic acid, 3-benzhydryl-1H-indole-2-carboxylicacid, 1H-INDOLE-2-CARBOXYLIC ACID, 3-(DIPHENYLMETHYL)-, 3-benzhydryl-indole-2-carboxylic acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H17NO2 |
| Molecular Weight | 327.12592 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.12592 Da |
| Heavy Atoms | 25 |
| Complexity | 435.0 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C(=O)O |
| InChIKey | RCRHDXWBWNDQLB-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)- is 53924-09-7.
The molecular formula of 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)- is C22H17NO2.
The molecular weight of 1H-Indole-2-carboxylic acid, 3-(diphenylmethyl)- is 327.12592 g/mol.
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