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CAS 530112-57-3 Tenivastatin calcium molecular structure lightbox
CAS RN: 530112-57-3

Tenivastatin calcium

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1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260618 15mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS530112-57-3
  • Purity/Analytical Methods: >99.0%
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530112-57-3 / calcium;bis((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate);trihydrate

Standard CAS: 530112-57-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
530112-57-3
Multi CAS
Yes
Molecular Formula
C50H84CAO15
Molecular Weight
965.300000
Exact Mass
964.543613
InChI
InChI=1S/2C25H40O6.Ca.3H2O/c2*1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;;;;/h2*7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);;3*1H2/q;;+2;;;/p-2/t2*15-,16-,18+,19+,20-,21-,23-;;;;/m00..../s1
InChIKey
ZZURQDTUMWWURH-XVIDMKIDSA-L

Computed Properties

Structural Parameters

Heavy atom count
66
Fraction Csp3
0.76
Rotatable bonds
20
H-bond acceptors
12
H-bond donors
4
Molar refractivity
249.77
TPSA
308.28

LogP / Solubility

WLOGP
2.69
MLOGP
2.46
XLogP3
2.69
Consensus LogP
2.61
Log S (ESOL)
-6.2
Class (ESOL)
Insoluble
Log S (Ali)
-9.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.56
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-6.7

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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