TL;DR: TT 232 (CAS 158899-10-6) is a chemical compound with molecular formula C45H58N10O9S2 and molecular weight 946.383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,7S,10R,13S,16R)-7-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-16-[[(2R)-2-amino-3-phenylpropanoyl]amino]-13-[(4-hydroxyphenyl)methyl]-10-(1H-indol-3-ylmethyl)-6,9,12,15-tetraoxo-1,2-dithia-5,8,11,14-tetrazacycloheptadecane-4-carboxamide
Also Known As: TT 232, TT2-32, TLN 232, CAP 232, TT 232, (L-Trp)-isomer
| Molecular Formula | C45H58N10O9S2 |
| Molecular Weight | 946.383 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 377.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 946.383 Da |
| Heavy Atoms | 66 |
| Complexity | 1640.0 |
| SMILES | C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H]1CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)O |
| InChIKey | SNAJPQVDGYDQSW-DYCFWDQMSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TT 232. The TPSA of 377.0 Ų indicates high polarity, suggesting TT 232 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TT 232 has 12 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of TT 232 is 158899-10-6.
The molecular formula of TT 232 is C45H58N10O9S2.
The molecular weight of TT 232 is 946.383 g/mol.
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