TL;DR: RefChem:321641 (CAS 112885-12-8) is a chemical compound with molecular formula C20H19ClF5N3O3 and molecular weight 479.10352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-chloro-2-methoxy-N-[[4-[(2,3,4,5,6-pentafluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
Also Known As: 4-Amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)benzamide, Benzamide, 4-amino-5-chloro-2-methoxy-N-((4-((pentafluorophenyl)methyl)-2-morpholinyl)methyl)-, 4-amino-5-chloro-2-methoxy-N-({4-[(2,3,4,5,6-pentafluorophenyl)methyl]morpholin-2-yl}methyl)benzamide, 4-Amino-5-chloro-2-methoxy-N-({4-[(pentafluorophenyl)methyl]morpholin-2-yl}methyl)benzene-1-carboximidic acid, 4-Amino-5-chloro-2-methoxy-N-[[4-(2,3,4,5,6-pentafluorobenzyl)-2-morpholinyl]methyl]benzamide
| Molecular Formula | C20H19ClF5N3O3 |
| Molecular Weight | 479.10352 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.10352 Da |
| Heavy Atoms | 32 |
| Complexity | 625.0 |
| SMILES | COC1=CC(=C(C=C1C(=O)NCC2CN(CCO2)CC3=C(C(=C(C(=C3F)F)F)F)F)Cl)N |
| InChIKey | VPQZUMGQKZSAJM-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:321641. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:321641. Following Lipinski's Rule of Five, RefChem:321641 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:321641 is 112885-12-8.
The molecular formula of RefChem:321641 is C20H19ClF5N3O3.
The molecular weight of RefChem:321641 is 479.10352 g/mol.
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