TL;DR: N-Formyl-Met-Leu-p-iodo-Phe (CAS 105931-59-7) is a chemical compound with molecular formula C21H30IN3O5S and molecular weight 563.0951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-iodophenyl)propanoic acid
Also Known As: N-Formyl-Met-Leu-p-iodo-Phe, For-Met-Leu-p-iodo-Phe-OH, N-Formylmethionylleucyl-4-iodophenylalanine, 2-[[2-[(2-formamido-4-methylsulfanylbutanoyl)amino]-4-methylpentanoyl]amino]-3-(4-iodophenyl)propanoic acid, 3-(4-iodophenyl)-2-{2-[2-formamido-4-(methylsulfanyl)butanamido]-4-methylpentanamido}propanoic acid
| Molecular Formula | C21H30IN3O5S |
| Molecular Weight | 563.0951 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 563.0951 Da |
| Heavy Atoms | 31 |
| Complexity | 600.0 |
| SMILES | CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)I)C(=O)O)NC(=O)C(CCSC)NC=O |
| InChIKey | RDQXFDPVOCUTTL-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Formyl-Met-Leu-p-iodo-Phe. The TPSA of 150.0 Ų indicates high polarity, suggesting N-Formyl-Met-Leu-p-iodo-Phe may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Formyl-Met-Leu-p-iodo-Phe has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Formyl-Met-Leu-p-iodo-Phe is 105931-59-7.
The molecular formula of N-Formyl-Met-Leu-p-iodo-Phe is C21H30IN3O5S.
The molecular weight of N-Formyl-Met-Leu-p-iodo-Phe is 563.0951 g/mol.
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