TL;DR: Urea, N,N''-1,6-hexanediylbis(N'-((1S)-1-phenylethyl)- (CAS 1356931-39-9) is a chemical compound with molecular formula C24H34N4O2 and molecular weight 410.2682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(1S)-1-phenylethyl]-3-[6-[[(1S)-1-phenylethyl]carbamoylamino]hexyl]urea
Also Known As: Urea, N,N''-1,6-hexanediylbis(N'-((1S)-1-phenylethyl)-, Urea, N,N''-1,6-hexanediylbis[N'-[(1S)-1-phenylethyl]-, N,N''-1,6-Hexanediylbis[N'-[(1S)-1-phenylethyl]urea], N,N'-Hexane-1,6-diylbis{N'-[(1S)-1-phenylethyl]urea}, 1-[(1S)-1-phenylethyl]-3-[6-[[(1S)-1-phenylethyl]carbamoylamino]hexyl]urea
| Molecular Formula | C24H34N4O2 |
| Molecular Weight | 410.2682 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 410.2682 Da |
| Heavy Atoms | 30 |
| Complexity | 444.0 |
| SMILES | C[C@@H](C1=CC=CC=C1)NC(=O)NCCCCCCNC(=O)N[C@@H](C)C2=CC=CC=C2 |
| InChIKey | OTHUDWXXFBTNND-PMACEKPBSA-N |
The XLogP value of 3.7 indicates that Urea, N,N''-1,6-hexanediylbis(N'-((1S)-1-phenylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N,N''-1,6-hexanediylbis(N'-((1S)-1-phenylethyl)-. Following Lipinski's Rule of Five, Urea, N,N''-1,6-hexanediylbis(N'-((1S)-1-phenylethyl)- has 4 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, N,N''-1,6-hexanediylbis(N'-((1S)-1-phenylethyl)- is 1356931-39-9.
The molecular formula of Urea, N,N''-1,6-hexanediylbis(N'-((1S)-1-phenylethyl)- is C24H34N4O2.
The molecular weight of Urea, N,N''-1,6-hexanediylbis(N'-((1S)-1-phenylethyl)- is 410.2682 g/mol.
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