TL;DR: AN-648/14914458 (CAS 425631-02-3) is a chemical compound with molecular formula C28H22N4O2S and molecular weight 478.14636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-carboxamide
Also Known As: AN-648/14914458, N-[4-(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)phenyl]naphthalene-1-carboxamide, N-(4-{4-methyl-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}phenyl)-1-naphthamide
| Molecular Formula | C28H22N4O2S |
| Molecular Weight | 478.14636 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.14636 Da |
| Heavy Atoms | 35 |
| Complexity | 722.0 |
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54 |
| InChIKey | AFNVUTIPLMPRPW-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that AN-648/14914458 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-648/14914458. Following Lipinski's Rule of Five, AN-648/14914458 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of AN-648/14914458 is 425631-02-3.
The molecular formula of AN-648/14914458 is C28H22N4O2S.
The molecular weight of AN-648/14914458 is 478.14636 g/mol.
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