TL;DR: Bhpp (CAS 15149-11-8) is a chemical compound with molecular formula C57H83N13O13S4 and molecular weight 1285.5116 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[[2-[[18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]methyl]-2-methyl-1,3-dithiolan-4-yl]methyl]-N-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexyl]butanediamide
Also Known As: BHPP, 4-(3-(Biotinylaminohexamethylenaminocarbonyl)propanoylaminomethyl)-2-methyl-1,3-dithiolane-2-yl-(ala(7))phalloidin, n-[(2-{[2-hydroxy-23-(1-hydroxyethyl)-6,26-dimethyl-4,7,19,22,25,28,31-heptaoxo-1,2,3,3a,4,5,6,7,8,9,10,15,18,19-tetradecahydro-17h-18,9-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indol-29-yl]methyl}-2-methyl-1,3-dithiolan-4-yl)methyl]-n'-(6-{[5-(2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl)pentanoyl]amino}hexyl)butanediamide, N'-[[2-[[18-Hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]methyl]-2-methyl-1,3-dithiolan-4-yl]methyl]-N-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexyl]butanediamide, Phalloidin, 7-(3-(4-(((4-((6-((5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)amino)hexyl)amino)-1,4-dioxobutyl)amino)methyl)-2-methyl-1,3-dithiolan-2-yl)-L-alanine)-
| Molecular Formula | C57H83N13O13S4 |
| Molecular Weight | 1285.5116 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 481.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Exact Mass | 1285.5116 Da |
| Heavy Atoms | 87 |
| Complexity | 2530.0 |
| SMILES | CC1C(=O)NC2CC3=C(NC4=CC=CC=C34)SCC(C(=O)N5CC(CC5C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC6(SCC(S6)CNC(=O)CCC(=O)NCCCCCCNC(=O)CCCCC7C8C(CS7)NC(=O)N8)C)C)C(C)O |
| InChIKey | XZRULFCZVOUHQJ-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bhpp. The TPSA of 481.0 Ų indicates high polarity, suggesting Bhpp may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bhpp has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bhpp is 15149-11-8.
The molecular formula of Bhpp is C57H83N13O13S4.
The molecular weight of Bhpp is 1285.5116 g/mol.
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