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[ CAS No. 73573-88-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 73573-88-3
Chemical Structure| 73573-88-3
Structure of 73573-88-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 73573-88-3 ]

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Product Details of [ 73573-88-3 ]

CAS No. :73573-88-3 MDL No. :MFCD05662341
Formula : C23H34O5 Boiling Point : -
Linear Structure Formula :- InChI Key :AJLFOPYRIVGYMJ-INTXDZFKSA-N
M.W : 390.51 Pubchem ID :64715
Synonyms :
Compactin;ML236B;Mevastatin, Compactin.;Statin I;NSC 281245;L-637,312;CS 500
Chemical Name :(1S,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (S)-2-methylbutanoate

Calculated chemistry of [ 73573-88-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 28
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.74
Num. rotatable bonds : 7
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 109.12
TPSA : 72.83 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.7
Log Po/w (XLOGP3) : 3.85
Log Po/w (WLOGP) : 3.95
Log Po/w (MLOGP) : 3.36
Log Po/w (SILICOS-IT) : 3.39
Consensus Log Po/w : 3.65

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.22
Solubility : 0.0233 mg/ml ; 0.0000596 mol/l
Class : Moderately soluble
Log S (Ali) : -5.08
Solubility : 0.00328 mg/ml ; 0.0000084 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.04
Solubility : 0.355 mg/ml ; 0.000908 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 5.56

Safety of [ 73573-88-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 73573-88-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 73573-88-3 ]

[ 73573-88-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 73573-88-3 ]
  • [ 81131-70-6 ]
YieldReaction ConditionsOperation in experiment
The pure compactin was then fermented into pravastatin and isolated according to the methods disclosed in U.S. Pat. No. 6,444,452. Analysis of the pravastatin salt by HPLC determined that the impurity pravastatin C was present in an amount of 0.12% by weight.
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