TL;DR: (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide (CAS 1164490-80-5) is a chemical compound with molecular formula C22H20ClN3O and molecular weight 377.1295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide
Also Known As: (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide, (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethyl-2-indolylidene)-2-butenamide, (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindolin-2-ylidene)but-2-enamide, N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)but-2-enamide
| Molecular Formula | C22H20ClN3O |
| Molecular Weight | 377.1295 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.1295 Da |
| Heavy Atoms | 27 |
| Complexity | 679.0 |
| SMILES | CC\1(C2=CC=CC=C2N(/C1=C\C=C(/C#N)\C(=O)NC3=CC=C(C=C3)Cl)C)C |
| InChIKey | GLMDXMDOZNOUNQ-IIHLIJIESA-N |
The XLogP value of 5.7 indicates that (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.1 Ų, (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide is 1164490-80-5.
The molecular formula of (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide is C22H20ClN3O.
The molecular weight of (E,4Z)-N-(4-chlorophenyl)-2-cyano-4-(1,3,3-trimethylindol-2-ylidene)but-2-enamide is 377.1295 g/mol.
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