TL;DR: Nalpha-Fmoc-N(im)-tosyl-L-histidine (CAS 112380-10-6) is a chemical compound with molecular formula C28H25N3O6S and molecular weight 531.1464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]propanoic acid
Also Known As: Fmoc-His(Tos)-OH, 4-Methyl-indole-3-carboxylic acid, Nalpha-Fmoc-N(im)-tosyl-L-histidine, Na-Fmoc-Nim-4-toluenesylfonyl-L-histidine, Nalpha-Fmoc-Nim-4-toluenesylfonyl-L-histidine
| Molecular Formula | C28H25N3O6S |
| Molecular Weight | 531.1464 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 531.1464 Da |
| Heavy Atoms | 38 |
| Complexity | 925.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35 |
| InChIKey | PHAKSHNECOECCD-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Nalpha-Fmoc-N(im)-tosyl-L-histidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nalpha-Fmoc-N(im)-tosyl-L-histidine. Following Lipinski's Rule of Five, Nalpha-Fmoc-N(im)-tosyl-L-histidine has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Nalpha-Fmoc-N(im)-tosyl-L-histidine is 112380-10-6.
The molecular formula of Nalpha-Fmoc-N(im)-tosyl-L-histidine is C28H25N3O6S.
The molecular weight of Nalpha-Fmoc-N(im)-tosyl-L-histidine is 531.1464 g/mol.
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