TL;DR: 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide (CAS 130365-34-3) is a chemical compound with molecular formula C23H39N2O4PS and molecular weight 470.23682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
Also Known As: N-Hexadecyl-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide, N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2, 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide, 4H-1,3,2-Benzodioxaphosphorin-2-amine,N-hexadecyl-6-nitro-, 2-sulfide, N-hexadecyl-6-nitro-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine
| Molecular Formula | C23H39N2O4PS |
| Molecular Weight | 470.23682 g/mol |
| XLogP | 9.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 470.23682 Da |
| Heavy Atoms | 31 |
| Complexity | 546.0 |
| SMILES | CCCCCCCCCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | LBDUPNUHUSLPMT-UHFFFAOYSA-N |
The XLogP value of 9.9 indicates that 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide. Following Lipinski's Rule of Five, 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide is 130365-34-3.
The molecular formula of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide is C23H39N2O4PS.
The molecular weight of 4H-1,3,2-Benzodioxaphosphorin-2-amine, N-hexadecyl-6-nitro-, 2-sulfide is 470.23682 g/mol.
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