CAS 97845-61-9

1,3-Propanediol, 2-[2-(2-amino-6-chloro-7H-purin-7-yl)ethyl]-, 1,3-diacetate

Description:

1,3-Propanediol, 2-[2-(2-amino-6-chloro-7H-purin-7-yl)ethyl]-, 1,3-diacetate, identified by CAS number 97845-61-9, is a chemical compound that features a purine derivative structure. This substance is characterized by the presence of a diacetate group, which indicates that it has two acetate functional groups attached to a 1,3-propanediol backbone. The purine moiety contributes to its potential biological activity, particularly in relation to nucleic acid metabolism and cellular processes. The presence of the amino and chloro substituents on the purine ring may influence its reactivity and interaction with biological targets. This compound is likely to exhibit solubility in polar solvents due to its hydroxyl and acetate groups, and its molecular structure suggests potential applications in pharmaceuticals or biochemistry, particularly in the development of nucleoside analogs or as a research tool in molecular biology. However, specific properties such as melting point, boiling point, and solubility would require empirical measurement or detailed literature references for precise values.

Formula: C₁₄H₁₈ClN₅O₄

InChI: InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-13-11(20)12(15)18-14(16)19-13/h7,10H,3-6H2,1-2H3,(H2,16,18,19)

InChI key: InChIKey=WEHQKUAQWVHZQX-UHFFFAOYSA-N

SMILES: C(CC(COC(C)=O)COC(C)=O)N1C=2C(N=C1)=NC(N)=NC2Cl

Synonyms:

• 1,3-Propanediol, 2-[2-(2-amino-6-chloro-7H-purin-7-yl)ethyl]-, 1,3-diacetate
• 1,3-Propanediol, 2-[2-(2-amino-6-chloro-7H-purin-7-yl)ethyl]-, diacetate (ester)

Penciclovir Impurity 4

CAS: 97845-61-9

Formula: C₁₄H₁₈ClN₅O₄

Molecular weight: 355.78

Ref: ST-EA-CP-P5009