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CAS 433289-83-9 Atorvastatin Related Compound A molecular structure lightbox
CAS RN: 433289-83-9

Atorvastatin Related Compound A

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260114 20mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS433289-83-9
  • Purity/Analytical Methods: >99.0%
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433289-83-9 / calcium (3R,5R)-7-[2,3-diphenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Standard CAS: 433289-83-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
433289-83-9
Multi CAS
Yes
Molecular Formula
C33H35CAN2O5
Molecular Weight
579.700000
Exact Mass
579.217188
InChI
InChI=1S/2C33H36N2O5.Ca/c2*1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39;/h2*3-17,22,26-27,36-37H,18-21H2,1-2H3,(H,34,40)(H,38,39);/q;;+2/p-2/t2*26-,27-;/m11./s1
InChIKey
ILJBDHBNPXANQZ-MNSAWQCASA-L

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
3
Molar refractivity
160.41
TPSA
114.62

LogP / Solubility

WLOGP
4.46
MLOGP
3.97
XLogP3
4.46
Consensus LogP
4.3
Log S (ESOL)
-5.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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