TL;DR: Phosphoric acid, dibutyl 1-Naphthalenyl ester (CAS 74536-90-6) is a chemical compound with molecular formula C18H25O4P and molecular weight 336.14905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibutyl naphthalen-1-yl phosphate
Also Known As: dibutyl naphthalen-1-yl phosphate, Phosphoric acid, dibutyl 1-Naphthalenyl ester, Dibutyl 1-naphthyl phosphate, Dibutyl 1-naphthalenyl phosphate, NSC 191839
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H25O4P |
| Molecular Weight | 336.14905 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.14905 Da |
| Heavy Atoms | 23 |
| Complexity | 360.0 |
| SMILES | CCCCOP(=O)(OCCCC)OC1=CC=CC2=CC=CC=C21 |
| InChIKey | PLDKUKDLHVUHPY-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that Phosphoric acid, dibutyl 1-Naphthalenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Phosphoric acid, dibutyl 1-Naphthalenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoric acid, dibutyl 1-Naphthalenyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phosphoric acid, dibutyl 1-Naphthalenyl ester is 74536-90-6.
The molecular formula of Phosphoric acid, dibutyl 1-Naphthalenyl ester is C18H25O4P.
The molecular weight of Phosphoric acid, dibutyl 1-Naphthalenyl ester is 336.14905 g/mol.
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