TL;DR: N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide (CAS 132722-93-1) is a chemical compound with molecular formula C17H16FN5O3 and molecular weight 357.12372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide
Also Known As: N-Bz-2'-F-dd-ara-A, N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide, 9-(2'-Fluoro-2',3'-dideoxy-beta-D-arabinofuranosyl)-N-benzoyl-adenine, N-[9-(2-Fluoro-2,3-dideoxy-beta-D-threo-pentofuranosyl)-9H-purine-6-yl]benzamide, 6-Benzoylamino-9-(2,3-dideoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purine
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H16FN5O3 |
| Molecular Weight | 357.12372 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.12372 Da |
| Heavy Atoms | 26 |
| Complexity | 507.0 |
| SMILES | C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)CO |
| InChIKey | MEJGKVAHHHDBIU-NVGCLXPQSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide. Following Lipinski's Rule of Five, N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide is 132722-93-1.
The molecular formula of N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide is C17H16FN5O3.
The molecular weight of N-[9-[(2R,3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide is 357.12372 g/mol.
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