TL;DR: N',N''-Hexane-1,6-diylbis(N,N-dihexylurea) (CAS 138049-27-1) is a chemical compound with molecular formula C32H66N4O2 and molecular weight 538.51855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[6-(dihexylcarbamoylamino)hexyl]-1,1-dihexylurea
Also Known As: N',N''-Hexane-1,6-diylbis(N,N-dihexylurea), Urea, N,N''-1,6-hexanediylbis[N',N'-dihexyl-, 3-[6-(dihexylcarbamoylamino)hexyl]-1,1-dihexylurea, 3-[6-(dihexylcarbamoylamino)hexyl]-1,1-dihexyl-urea, Urea, N,Na(2)a(2)-1,6-hexanediylbis[Na(2),Na(2)-dihexyl-
| Molecular Formula | C32H66N4O2 |
| Molecular Weight | 538.51855 g/mol |
| XLogP | 9.6 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 27 |
| Exact Mass | 538.51855 Da |
| Heavy Atoms | 38 |
| Complexity | 460.0 |
| SMILES | CCCCCCN(CCCCCC)C(=O)NCCCCCCNC(=O)N(CCCCCC)CCCCCC |
| InChIKey | GDUPGIRLRUSXKU-UHFFFAOYSA-N |
The XLogP value of 9.6 indicates that N',N''-Hexane-1,6-diylbis(N,N-dihexylurea) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N',N''-Hexane-1,6-diylbis(N,N-dihexylurea). Following Lipinski's Rule of Five, N',N''-Hexane-1,6-diylbis(N,N-dihexylurea) has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N',N''-Hexane-1,6-diylbis(N,N-dihexylurea) is 138049-27-1.
The molecular formula of N',N''-Hexane-1,6-diylbis(N,N-dihexylurea) is C32H66N4O2.
The molecular weight of N',N''-Hexane-1,6-diylbis(N,N-dihexylurea) is 538.51855 g/mol.
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