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CAS 265989-46-6 di(2-Hydroxy Atorvastatin) CalciuM Salt molecular structure lightbox
CAS RN: 265989-46-6

di(2-Hydroxy Atorvastatin) CalciuM Salt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260420 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS265989-46-6
  • Purity/Analytical Methods: >99.0%
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265989-46-6 / (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

Standard CAS: 265989-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
265989-46-6
Multi CAS
No
Molecular Formula
C33H35FN2O6
Molecular Weight
574.600000
Exact Mass
574.247915
SMILES
CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4O
InChI
InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1
InChIKey
CZBPKFICAYVHHM-JWQCQUIFSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
5
Molar refractivity
158.91
TPSA
132.02

LogP / Solubility

WLOGP
6.02
MLOGP
5.34
XLogP3
4.6
Consensus LogP
5.32
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.95

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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