TL;DR: TAPI1 (CAS 163847-77-6) is a chemical compound with molecular formula C26H37N5O5 and molecular weight 499.27948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
Also Known As: TAPI1, InSolution™ TAPI-1, (S,S)-TAPI-1, TAPI 1, TNF-alpha Protease Inhibitor-1
| Molecular Formula | C26H37N5O5 |
| Molecular Weight | 499.27948 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 499.27948 Da |
| Heavy Atoms | 36 |
| Complexity | 746.0 |
| SMILES | C[C@@H](C(=O)NCCN)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC(C)C)CC(=O)NO |
| InChIKey | AWNBSWDIOCXWJW-OWHMDLSXSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TAPI1. The TPSA of 163.0 Ų indicates high polarity, suggesting TAPI1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TAPI1 has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of TAPI1 is 163847-77-6.
The molecular formula of TAPI1 is C26H37N5O5.
The molecular weight of TAPI1 is 499.27948 g/mol.
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