TL;DR: Methionine, N-benzoyl-, 1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]propyl ester (CAS 1396967-61-5) is a chemical compound with molecular formula C19H24N4O4S2 and molecular weight 436.1239 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl] 2-benzamido-4-methylsulfanylbutanoate
Also Known As: Methionine, N-benzoyl-, 1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]propyl ester, 1-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)CARBAMOYL]PROPYL 4-(METHYLSULFANYL)-2-(PHENYLFORMAMIDO)BUTANOATE, 1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl N-(phenylcarbonyl)methioninate, 1-[(5-Methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl N-benzoylmethioninate, [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl] 2-benzamido-4-methylsulfanylbutanoate
| Molecular Formula | C19H24N4O4S2 |
| Molecular Weight | 436.1239 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 436.1239 Da |
| Heavy Atoms | 29 |
| Complexity | 560.0 |
| SMILES | CCC(C(=O)NC1=NN=C(S1)C)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2 |
| InChIKey | FJXSUUDNDQGLGD-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Methionine, N-benzoyl-, 1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting Methionine, N-benzoyl-, 1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]propyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methionine, N-benzoyl-, 1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]propyl ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methionine, N-benzoyl-, 1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]propyl ester is 1396967-61-5.
The molecular formula of Methionine, N-benzoyl-, 1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]propyl ester is C19H24N4O4S2.
The molecular weight of Methionine, N-benzoyl-, 1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]carbonyl]propyl ester is 436.1239 g/mol.
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