TL;DR: Philanthotoxin (CAS 115976-91-5) is a chemical compound with molecular formula C23H41N5O3 and molecular weight 435.32095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S)-1-[4-[3-(3-aminopropylamino)propylamino]butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide
Also Known As: Philanthotoxin, delta-Philanthotoxin, delta-Ptx, Philanthotoxin 433, Ptx 433
| Molecular Formula | C23H41N5O3 |
| Molecular Weight | 435.32095 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 435.32095 Da |
| Heavy Atoms | 31 |
| Complexity | 470.0 |
| SMILES | CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCNCCCNCCCN |
| InChIKey | VRQNABCCOFCGJL-NRFANRHFSA-N |
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Philanthotoxin. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Philanthotoxin. Following Lipinski's Rule of Five, Philanthotoxin has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Philanthotoxin is 115976-91-5.
The molecular formula of Philanthotoxin is C23H41N5O3.
The molecular weight of Philanthotoxin is 435.32095 g/mol.
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