TL;DR: ACETYL-ARG-PHE-PHE-SAR-LEU-MET[O2] (CAS 121951-71-1) is a chemical compound with molecular formula C40H60N10O9S and molecular weight 856.4266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]acetyl]amino]-N-(1-amino-4-methylsulfonyl-1-oxobutan-2-yl)-4-methylpentanamide
Also Known As: ACETYL-ARG-PHE-PHE-SAR-LEU-MET[O2], 2-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]acetyl]amino]-N-(1-amino-4-methylsulfonyl-1-oxobutan-2-yl)-4-methylpentanamide, Acetyl-[Arg6, Sar9, Met(O2)11]-Substance P Fragment 6-11, Acetyl-[Arg6, Sar9, Met(O2)11]-Substance P Fragment 6-11, >=95%, (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]-methylamino]acetyl]amino]-N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]-4-methylpentanamide
| Molecular Formula | C40H60N10O9S |
| Molecular Weight | 856.4266 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 316.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 25 |
| Exact Mass | 856.4266 Da |
| Heavy Atoms | 60 |
| Complexity | 1590.0 |
| SMILES | CC(C)CC(C(=O)NC(CCS(=O)(=O)C)C(=O)N)NC(=O)CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C |
| InChIKey | YJXVNOJCEZCWJV-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ACETYL-ARG-PHE-PHE-SAR-LEU-MET[O2]. The TPSA of 316.0 Ų indicates high polarity, suggesting ACETYL-ARG-PHE-PHE-SAR-LEU-MET[O2] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ACETYL-ARG-PHE-PHE-SAR-LEU-MET[O2] has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ACETYL-ARG-PHE-PHE-SAR-LEU-MET[O2] is 121951-71-1.
The molecular formula of ACETYL-ARG-PHE-PHE-SAR-LEU-MET[O2] is C40H60N10O9S.
The molecular weight of ACETYL-ARG-PHE-PHE-SAR-LEU-MET[O2] is 856.4266 g/mol.
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