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CAS 81093-43-8 3-A-HYDROXY PRAVASTATIN SODIUM SALT molecular structure lightbox
CAS RN: 81093-43-8

3-A-HYDROXY PRAVASTATIN SODIUM SALT

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS81093-43-8
  • Purity/Analytical Methods: >99.0%
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81093-43-8 / sodium 3,5-dihydroxy-7-[3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]heptanoate

Standard CAS: 81093-43-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81093-43-8
Multi CAS
Yes
Molecular Formula
C23H35NAO7
Molecular Weight
446.500000
Exact Mass
446.228048
InChI
InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-7-5-6-15-10-19(26)14(3)18(22(15)20)9-8-16(24)11-17(25)12-21(27)28;/h5-6,10,13-14,16-20,22,24-26H,4,7-9,11-12H2,1-3H3,(H,27,28);/q;+1/p-1
InChIKey
QMLCOLOJNAKCFF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.74
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
3
Molar refractivity
108.81
TPSA
127.12

LogP / Solubility

WLOGP
-1.89
MLOGP
-1.63
XLogP3
-1.89
Consensus LogP
-1.8
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-6.79

Drug-likeness / Medicinal Chemistry

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

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