TL;DR: NM 294 (CAS 121269-43-0) is a chemical compound with molecular formula C27H49INO6P and molecular weight 639.2344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[12-(3-(125I)iodophenyl)dodecoxy]-2-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: NM 294, 1-O-(12-(2-Iodophenyl)dodecyl)-2-O-methylglycero-3-phosphocholine, [3-[12-(3-iodanylphenyl)dodecoxy]-2-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, 3,5,9-Trioxa-4-phosphaheneicosan-1-aminium, 4-hydroxy-21-(3-(iodo-125I)phenyl)-7-methoxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (+-)-, [3-[12-(3-(125I)Iodanylphenyl)dodecoxy]-2-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
| Molecular Formula | C27H49INO6P |
| Molecular Weight | 639.2344 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 23 |
| Exact Mass | 639.2344 Da |
| Heavy Atoms | 36 |
| Complexity | 569.0 |
| SMILES | C[N+](C)(C)CCOP(=O)([O-])OCC(COCCCCCCCCCCCCC1=CC(=CC=C1)[125I])OC |
| InChIKey | ZSEKDUVBISKQAJ-LYCVTSOGSA-N |
The XLogP value of 6.4 indicates that NM 294 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NM 294. Following Lipinski's Rule of Five, NM 294 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of NM 294 is 121269-43-0.
The molecular formula of NM 294 is C27H49INO6P.
The molecular weight of NM 294 is 639.2344 g/mol.
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