TL;DR: N-[2,6-Bis(1-methylethyl)phenyl]-N''-[dioctyl]iminodicarbonic diamide (CAS 145966-94-5) is a chemical compound with molecular formula C30H53N3O2 and molecular weight 487.4138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1,1-dioctylurea
Also Known As: 1-(2,6-Diisopropylphenyl)-5,5-dioctylbiuret, 1-carbamoyl-1-(2,6-diisopropylphenyl)-3,3-dioctylurea, 3-[(2,6-dipropan-2-ylphenyl)carbamoyl]-1,1-dioctyl-urea, 1-({[2,6-bis(propan-2-yl)phenyl]carbamoyl}amino)-N,N-dioctylformamide, N-[2,6-Bis(1-methylethyl)phenyl]-N''-[dioctyl]iminodicarbonic diamide
| Molecular Formula | C30H53N3O2 |
| Molecular Weight | 487.4138 g/mol |
| XLogP | 10.4 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 17 |
| Exact Mass | 487.4138 Da |
| Heavy Atoms | 35 |
| Complexity | 532.0 |
| SMILES | CCCCCCCCN(CCCCCCCC)C(=O)NC(=O)NC1=C(C=CC=C1C(C)C)C(C)C |
| InChIKey | LRCFUZJFKUYJDA-UHFFFAOYSA-N |
The XLogP value of 10.4 indicates that N-[2,6-Bis(1-methylethyl)phenyl]-N''-[dioctyl]iminodicarbonic diamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2,6-Bis(1-methylethyl)phenyl]-N''-[dioctyl]iminodicarbonic diamide. Following Lipinski's Rule of Five, N-[2,6-Bis(1-methylethyl)phenyl]-N''-[dioctyl]iminodicarbonic diamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[2,6-Bis(1-methylethyl)phenyl]-N''-[dioctyl]iminodicarbonic diamide is 145966-94-5.
The molecular formula of N-[2,6-Bis(1-methylethyl)phenyl]-N''-[dioctyl]iminodicarbonic diamide is C30H53N3O2.
The molecular weight of N-[2,6-Bis(1-methylethyl)phenyl]-N''-[dioctyl]iminodicarbonic diamide is 487.4138 g/mol.
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