TL;DR: N-Succinimidyl 4-methyl-3-iodobenzoate (CAS 149879-60-7) is a chemical compound with molecular formula C12H10INO4 and molecular weight 358.96545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,5-dioxopyrrolidin-1-yl) 3-iodo-4-methylbenzoate
Also Known As: Smib-N, N-Succinimidyl 4-methyl-3-iodobenzoate, (2,5-dioxopyrrolidin-1-yl) 3-iodo-4-methylbenzoate, 2,5-dioxoazolidinyl 3-iodo-4-methylbenzoate, 2,5-DIOXOPYRROLIDIN-1-YL 3-IODO-4-METHYLBENZOATE
| Molecular Formula | C12H10INO4 |
| Molecular Weight | 358.96545 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.96545 Da |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)ON2C(=O)CCC2=O)I |
| InChIKey | GHTHESUTFOWAHH-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Succinimidyl 4-methyl-3-iodobenzoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Succinimidyl 4-methyl-3-iodobenzoate. Following Lipinski's Rule of Five, N-Succinimidyl 4-methyl-3-iodobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Succinimidyl 4-methyl-3-iodobenzoate is 149879-60-7.
The molecular formula of N-Succinimidyl 4-methyl-3-iodobenzoate is C12H10INO4.
The molecular weight of N-Succinimidyl 4-methyl-3-iodobenzoate is 358.96545 g/mol.
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