2-(2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diyl diacetate , 95% , 97845-60-8

CAS NO.：97845-60-8

Empirical Formula: C14H18ClN5O4

Molecular Weight: 355.78

MDL number: MFCD08458206

EINECS: 619-293-7

PRODUCT Properties

• Melting point: 132-134 °C(Solv: isopropanol (67-63-0))
• Boiling point: 575.0±60.0 °C(Predicted)
• Density: 1.49±0.1 g/cm3(Predicted)
• vapor pressure: 0Pa at 25℃
• storage temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 2.23±0.10(Predicted)
• color: Off-White to Light Yellow
• InChI: InChI=1S/C14H18ClN5O4/c1-8(21)23-5-10(6-24-9(2)22)3-4-20-7-17-11-12(15)18-14(16)19-13(11)20/h7,10H,3-6H2,1-2H3,(H2,16,18,19)
• InChIKey: KXPSHSVVYGZKAV-UHFFFAOYSA-N
• SMILES: C(OC(=O)C)C(CCN1C2C(N=C1)=C(Cl)N=C(N)N=2)COC(=O)C
• LogP: 0.92 at 25℃ and pH9.1
• CAS DataBase Reference: 97845-60-8(CAS DataBase Reference)

Description and Uses

9-[4-Acetoxy-3-(acetoxymethyl)butyl]-2-amino-6-chloropurine is an impurity of Famciclovir (F101125), an antiviral agent and a prodrug of Penciclovir (P221500).

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H302
• Precautionary statements: P264-P270-P301+P312-P330-P501