TL;DR: Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)- (CAS 145131-13-1) is a chemical compound with molecular formula C29H39N3O and molecular weight 445.30933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,6-di(propan-2-yl)phenyl]-3-[2-[1-(1-methylindol-3-yl)cyclopentyl]ethyl]urea
Also Known As: Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)-, N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)urea, N(sup 1)-(2,6-Diisopropylphenyl)-N(sup 2)-(2-(1-(1-methyl-3-indolyl)cyclopentyl)ethyl)urea, 1-[2,6-bis(propan-2-yl)phenyl]-3-{2-[1-(1-methyl-1H-indol-3-yl)cyclopentyl]ethyl}urea, 1-[2,6-di(propan-2-yl)phenyl]-3-[2-[1-(1-methylindol-3-yl)cyclopentyl]ethyl]urea
| Molecular Formula | C29H39N3O |
| Molecular Weight | 445.30933 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 46.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.30933 Da |
| Heavy Atoms | 33 |
| Complexity | 625.0 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)NCCC2(CCCC2)C3=CN(C4=CC=CC=C43)C |
| InChIKey | VZTYYXKWTKDVEN-UHFFFAOYSA-N |
The XLogP value of 7.3 indicates that Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.1 Ų, Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)- has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)- is 145131-13-1.
The molecular formula of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)- is C29H39N3O.
The molecular weight of Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-(2-(1-(1-methyl-1H-indol-3-yl)cyclopentyl)ethyl)- is 445.30933 g/mol.
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