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CAS 887196-29-4 O-Methyl Atorvastatin Calcium Salt molecular structure lightbox
CAS RN: 887196-29-4

O-Methyl Atorvastatin Calcium Salt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS887196-29-4
  • Purity/Analytical Methods: >99.0%
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887196-29-4 / (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate

Standard CAS: 887196-29-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
887196-29-4
Multi CAS
Yes
Molecular Formula
C34FH36N2O5
Molecular Weight
571.700000
Exact Mass
571.260825
InChI
InChI=1S/C34H37FN2O5/c1-22(2)32-31(34(41)36-26-12-8-5-9-13-26)30(23-10-6-4-7-11-23)33(24-14-16-25(35)17-15-24)37(32)19-18-27(38)20-28(42-3)21-29(39)40/h4-17,22,27-28,38H,18-21H2,1-3H3,(H,36,41)(H,39,40)/p-1/t27-,28-/m1/s1
InChIKey
WXRUMNYOLOVRFD-VSGBNLITSA-M

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
23
Fraction Csp3
0.29
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
2
Molar refractivity
159.41
TPSA
103.62

LogP / Solubility

WLOGP
5.63
MLOGP
5
XLogP3
6.1
Consensus LogP
5.58
Log S (ESOL)
-6.48
Class (ESOL)
Insoluble
Log S (Ali)
-8.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.61
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

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