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CAS 81093-37-0 Pravastatin molecular structure lightbox
CAS RN: 81093-37-0

Pravastatin

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250127 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS81093-37-0
  • Purity/Analytical Methods: >99.0%
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81093-37-0 / 3,5-dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid

Standard CAS: 81093-37-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81093-37-0
Multi CAS
Yes
Molecular Formula
C23H36O7
Molecular Weight
424.500000
Exact Mass
424.246103
InChI
InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)
InChIKey
TUZYXOIXSAXUGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.74
Rotatable bonds
10
H-bond acceptors
6
H-bond donors
4
Molar refractivity
111.44
TPSA
124.29

LogP / Solubility

WLOGP
2.44
MLOGP
2.17
XLogP3
1.6
Consensus LogP
2.07
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

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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