TL;DR: Ociltide (CAS 78410-57-8) is a chemical compound with molecular formula C31H40N6O7S and molecular weight 640.26794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide
Also Known As: Ociltide, tyrosyl-n6-formyllysylglycyl-n-(2-oxotetrahydrothiophen-3-yl)phenylalaninamide, 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-6-formamido-N-[2-oxo-2-[[1-oxo-1-[(2-oxothiolan-3-yl)amino]-3-phenylpropan-2-yl]amino]ethyl]hexanamide
| Molecular Formula | C31H40N6O7S |
| Molecular Weight | 640.26794 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 234.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 17 |
| Exact Mass | 640.26794 Da |
| Heavy Atoms | 45 |
| Complexity | 1000.0 |
| SMILES | C1CSC(=O)C1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCCNC=O)NC(=O)C(CC3=CC=C(C=C3)O)N |
| InChIKey | RQBSKKBNALPMSL-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ociltide. The TPSA of 234.0 Ų indicates high polarity, suggesting Ociltide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ociltide has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ociltide is 78410-57-8.
The molecular formula of Ociltide is C31H40N6O7S.
The molecular weight of Ociltide is 640.26794 g/mol.
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