Atorvastatin acetonide tert-butyl ester is an effective intermediate for the preparation of Atorvastatin salts. Atorvastatin is an oral HMG-CoA reductase inhibitor that can effectively lower blood lipids.

Physicochemical Properties

Molecular Formula	C40H47N2O5F
Molecular Weight	654.80998
Exact Mass	654.346
CAS #	125971-95-1
PubChem CID	10168503
Appearance	White to off-white solid powder
Density	1.1±0.1 g/cm3
Boiling Point	678.0±55.0 °C at 760 mmHg
Melting Point	144-148ºC
Flash Point	363.9±31.5 °C
Vapour Pressure	0.0±2.1 mmHg at 25°C
Index of Refraction	1.569
LogP	7.78
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Heavy Atom Count	48
Complexity	1040
Defined Atom Stereocenter Count	2
SMILES	CC(C1=C(C(NC2=CC=CC=C2)=O)C(C3=CC=CC=C3)=C(N1CC[C@@H]4C[C@@H](OC(C)(O4)C)CC(OC(C)(C)C)=O)C5=CC=C(F)C=C5)C
InChi Key	NPPZOMYSGNZDKY-ROJLCIKYSA-N
InChi Code	InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1
Chemical Name	tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Solubility Data

Solubility (In Vitro)

DMSO : ~125 mg/mL (~190.90 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (3.18 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.5272 mL	7.6358 mL	15.2716 mL
	5 mM	0.3054 mL	1.5272 mL	3.0543 mL
	10 mM	0.1527 mL	0.7636 mL	1.5272 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.