TL;DR: N(alpha)-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide (CAS 86125-48-6) is a chemical compound with molecular formula C27H31N5O4S and molecular weight 521.20966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
Also Known As: Thromstop, Thrombstop, alpha-Napap, Nas-gly-pam-phe-P, NAPAP
| Molecular Formula | C27H31N5O4S |
| Molecular Weight | 521.20966 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 521.20966 Da |
| Heavy Atoms | 37 |
| Complexity | 906.0 |
| SMILES | C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3 |
| InChIKey | XXTWZTPVNIYSJZ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide. The TPSA of 154.0 Ų indicates high polarity, suggesting N(alpha)-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(alpha)-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N(alpha)-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide is 86125-48-6.
The molecular formula of N(alpha)-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide is C27H31N5O4S.
The molecular weight of N(alpha)-(2-Naphthylsulfonylglycyl)-4-amidinophenylalanine piperidide is 521.20966 g/mol.
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