TL;DR: Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-lauroyl- (CAS 55726-42-6) is a chemical compound with molecular formula C21H35N3O6 and molecular weight 425.2526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]dodecanamide
Also Known As: Aracytidine 5'-phosphate, 1-beta-D-Arabinofuranosyl-N(sup 4)-lauroylcytosine, N(sup 4)-Lauroyl-1-beta-D-arabinofuranosylcytosine, 1beta-D-arabinofuranosyl-N4-lauroylcytosine, CYTOSINE, 1-beta-D-ARABINOFURANOSYL-N(sup 4)-LAUROYL-
| Molecular Formula | C21H35N3O6 |
| Molecular Weight | 425.2526 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 425.2526 Da |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
| SMILES | CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O |
| InChIKey | DIQMOLNTZYUDBX-GEALJGNFSA-N |
The XLogP value of 3.8 indicates that Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-lauroyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-lauroyl-. Following Lipinski's Rule of Five, Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-lauroyl- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-lauroyl- is 55726-42-6.
The molecular formula of Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-lauroyl- is C21H35N3O6.
The molecular weight of Cytosine, 1-beta-D-arabinofuranosyl-N(sup 4)-lauroyl- is 425.2526 g/mol.
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