TL;DR: N(alpha)-tosylglycyl-3-amidinophenylalanine methyl ester (CAS 133397-81-6) is a chemical compound with molecular formula C20H24N4O5S and molecular weight 432.14673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-3-(3-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]propanoate
Also Known As: N-Tapam, 1v2o, 1v2p, 1v2q, 1v2r
| Molecular Formula | C20H24N4O5S |
| Molecular Weight | 432.14673 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 160.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 432.14673 Da |
| Heavy Atoms | 30 |
| Complexity | 713.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)N[C@@H](CC2=CC(=CC=C2)C(=N)N)C(=O)OC |
| InChIKey | YAEIKQDHLCFGAA-KRWDZBQOSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(alpha)-tosylglycyl-3-amidinophenylalanine methyl ester. The TPSA of 160.0 Ų indicates high polarity, suggesting N(alpha)-tosylglycyl-3-amidinophenylalanine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(alpha)-tosylglycyl-3-amidinophenylalanine methyl ester has 4 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(alpha)-tosylglycyl-3-amidinophenylalanine methyl ester is 133397-81-6.
The molecular formula of N(alpha)-tosylglycyl-3-amidinophenylalanine methyl ester is C20H24N4O5S.
The molecular weight of N(alpha)-tosylglycyl-3-amidinophenylalanine methyl ester is 432.14673 g/mol.
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