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CAS 85956-22-5 Pravastatin Lactone molecular structure lightbox
CAS RN: 85956-22-5

Pravastatin Lactone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS85956-22-5
  • Purity/Analytical Methods: >99.0%
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85956-22-5 / [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

Standard CAS: 85956-22-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85956-22-5
Multi CAS
Yes
Molecular Formula
C23H34O6
Molecular Weight
406.500000
Exact Mass
406.235539
InChI
InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
InChIKey
OQARDMYXSOFTLN-PZAWKZKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.74
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
2
Molar refractivity
107.68
TPSA
93.06

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
2.4
Consensus LogP
2.64
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5

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