TL;DR: N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide (CAS 123065-42-9) is a chemical compound with molecular formula C35H69NO3 and molecular weight 551.5278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide
Also Known As: Cer 35:1, N-octadecanoyl-C17-sphingosine, C18 Ceramide (d17:1/18:0), Cer(d17:1/18:0), N-octadecanoyl-heptadecasphing-4-enine
| Molecular Formula | C35H69NO3 |
| Molecular Weight | 551.5278 g/mol |
| XLogP | 13.4 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 31 |
| Exact Mass | 551.5278 Da |
| Heavy Atoms | 39 |
| Complexity | 522.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCC)O |
| InChIKey | KGEXFGDEDXQZLQ-QKSCFGQVSA-N |
The XLogP value of 13.4 indicates that N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide. Following Lipinski's Rule of Five, N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide is 123065-42-9.
The molecular formula of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide is C35H69NO3.
The molecular weight of N-[(E,2S,3R)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide is 551.5278 g/mol.
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