TL;DR: Tnp 351 (CAS 125991-51-7) is a chemical compound with molecular formula C21H24N6O5 and molecular weight 440.18082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acid
Also Known As: Tnp 351, N-(4-(3-(2,4-Diamino-7H-pyrrolo(2,3-d)pyrimidin-5-yl)propyl)benzoyl)glutamic acid, (2S)-2-[[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acid, N-(4-(3-(2,4-Diamino-1H-pyrrolo(2,3-d)pyrimidin-5-yl)propyl)benzoyl)-L-glutamic acid, (4-(3-(2,4-diamino-1H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl)benzoyl)-L-glutamic acid
| Molecular Formula | C21H24N6O5 |
| Molecular Weight | 440.18082 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 440.18082 Da |
| Heavy Atoms | 32 |
| Complexity | 671.0 |
| SMILES | C1=CC(=CC=C1CCCC2=CNC3=NC(=NC(=C23)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| InChIKey | WLGCEMWNUHSIIS-AWEZNQCLSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tnp 351. The TPSA of 197.0 Ų indicates high polarity, suggesting Tnp 351 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tnp 351 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tnp 351 is 125991-51-7.
The molecular formula of Tnp 351 is C21H24N6O5.
The molecular weight of Tnp 351 is 440.18082 g/mol.
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