TL;DR: endothelin receptor antagonist*pd 142893 (CAS 155893-16-6) is a chemical compound with molecular formula C52H66F3N7O12 and molecular weight 1037.4722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[[(2S)-2-[[(2R)-2-acetamido-3,3-diphenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
Also Known As: endothelin receptor antagonist*pd 142893
| Molecular Formula | C52H66F3N7O12 |
| Molecular Weight | 1037.4722 g/mol |
| XLogP | 4.8021 |
| Topological Polar Surface Area (TPSA) | 302.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Exact Mass | 1037.4722 Da |
| Heavy Atoms | 74 |
| Complexity | 1750.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C.C(=O)(C(F)(F)F)O |
| InChIKey | IRQQCYLUZOTOLK-QBWMIYPESA-N |
The XLogP value of 4.8021 indicates that endothelin receptor antagonist*pd 142893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 302.0 Ų indicates high polarity, suggesting endothelin receptor antagonist*pd 142893 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, endothelin receptor antagonist*pd 142893 has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of endothelin receptor antagonist*pd 142893 is 155893-16-6.
The molecular formula of endothelin receptor antagonist*pd 142893 is C52H66F3N7O12.
The molecular weight of endothelin receptor antagonist*pd 142893 is 1037.4722 g/mol.
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