CAS 1251012-02-8

6-(1,1-Dimethylethyl) 2-ethyl 4,5,7,8-tetrahydro-6H-thiazolo[4,5-d]azepine-2,6-dicarboxylate

Description:

6-(1,1-Dimethylethyl) 2-ethyl 4,5,7,8-tetrahydro-6H-thiazolo[4,5-d]azepine-2,6-dicarboxylate is a complex organic compound characterized by its unique thiazolo-azepine structure, which incorporates both a thiazole and an azepine ring. This compound features multiple functional groups, including carboxylate esters, which contribute to its chemical reactivity and potential biological activity. The presence of the bulky 1,1-dimethylethyl group enhances its steric properties, potentially influencing its interactions with biological targets. The compound is likely to exhibit moderate to high lipophilicity due to its hydrophobic regions, which may affect its solubility and permeability in biological systems. Additionally, the presence of multiple chiral centers suggests that it may exist in different stereoisomeric forms, which can have significant implications for its pharmacological properties. Overall, this compound's structural complexity and functional diversity make it a candidate for further investigation in medicinal chemistry and drug development.

Formula: C₁₅H₂₂N₂O₄S

InChI: InChI=1S/C15H22N2O4S/c1-5-20-13(18)12-16-10-6-8-17(9-7-11(10)22-12)14(19)21-15(2,3)4/h5-9H2,1-4H3

InChI key: InChIKey=ZJADFVCBCTWNLC-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=NC2=C(S1)CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 6H-Thiazolo[4,5-d]azepine-2,6-dicarboxylic acid, 4,5,7,8-tetrahydro-, 6-(1,1-dimethylethyl) 2-ethyl ester
• 6-(1,1-Dimethylethyl) 2-ethyl 4,5,7,8-tetrahydro-6H-thiazolo[4,5-d]azepine-2,6-dicarboxylate

6-TERT-BUTYL 2-ETHYL 7,8-DIHYDRO-4H-THIAZOLO[4,5-D]AZEPINE-2,6(5H)-DICARBOXYLATE

CAS: 1251012-02-8

Formula: C₁₅H₂₂N₂O₄S

Molecular weight: 326.4112

Ref: IN-DA00HI1A

6-O-tert-butyl 2-O-ethyl 4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxylate

CAS: 1251012-02-8

Purity: 95+%

Molecular weight: 326.4100037

Ref: 10-F601437