TL;DR: Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1) (CAS 67874-03-7) is a chemical compound with molecular formula C22H49NO4S and molecular weight 423.33823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl hydrogen sulfate;N-ethyloctadecan-1-amine
Also Known As: Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1), ethyl hydrogen sulfate;N-ethyloctadecan-1-amine, ethyl hydrogen sulfate- n-ethyloctadecan-1-amine(1:1), ethyl hydrogen sulfate; N-ethyloctadecan-1-amine, Ethyl hydrogen sulfate--N-ethyloctadecan-1-amine (1/1)
| Molecular Formula | C22H49NO4S |
| Molecular Weight | 423.33823 g/mol |
| XLogP | 6.68 |
| Topological Polar Surface Area (TPSA) | 84.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 20 |
| Exact Mass | 423.33823 Da |
| Heavy Atoms | 28 |
| Complexity | 284.0 |
| SMILES | CCCCCCCCCCCCCCCCCCNCC.CCOS(=O)(=O)O |
| InChIKey | JDQALEDUBAOUSU-UHFFFAOYSA-N |
The XLogP value of 6.68 indicates that Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1). Following Lipinski's Rule of Five, Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1) is 67874-03-7.
The molecular formula of Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1) is C22H49NO4S.
The molecular weight of Sulfuric acid, monoethyl ester, compd. with N-ethyl-1-octadecanamine (1:1) is 423.33823 g/mol.
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