TL;DR: CH 66 (CAS 139890-66-7) is a chemical compound with molecular formula C58H81N11O12 and molecular weight 1123.6066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
CH-66
(2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2-(2,2-dimethylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
Also Known As: CH 66, Piv-his-pro-phe-leu(OH)leu-tyr-tyr-ser-NH2, (2S)-N-[(2S)-1-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2S)-2-(2,2-dimethylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide, (2S)-N-((2S)-1-((1-(((S)-1-(((S)-1-(((S)-1-(((S)-1-amino-3-hydroxy-1-oxopropan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-1-hydroxy-4-methylpentan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)-1-(pivaloyl-L-histidyl)pyrrolidine-2-carboxamide, (2s)-n-[(2s)-1-[[1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-hydroxy-4-methylpentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[(2s)-2-(2,2-dimethylpropanoylamino)-3-(3h-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
| Molecular Formula | C58H81N11O12 |
| Molecular Weight | 1123.6066 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 360.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 1123.6066 Da |
| Heavy Atoms | 81 |
| Complexity | 2060.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N)NC(C(CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CN=CN5)NC(=O)C(C)(C)C)O |
| InChIKey | IOODFRUCBCPLAP-WRPOBCEFSA-N |
The XLogP value of 4.0 indicates that CH 66 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 360.0 Ų indicates high polarity, suggesting CH 66 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CH 66 has 13 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CH 66 is 139890-66-7.
The molecular formula of CH 66 is C58H81N11O12.
The molecular weight of CH 66 is 1123.6066 g/mol.
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