CAS RN: 1258947-30-6
Pitavastatin Defuoro IMpurity CalciuM Salt
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1258947-30-6
- Purity/Analytical Methods: >99.0%
1258947-30-6 / calcium bis((E,3R,5S)-7-(2-cyclopropyl-4-phenylquinolin-3-yl)-3,5-dihydroxyhept-6-enoate)
Basic Information
CAS
1258947-30-6
Multi CAS
No
Molecular Formula
C50H48CaN2O8
Molecular Weight
845.000000
Exact Mass
844.303657
SMILES
C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=CC=C4.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=CC=C4.[Ca+2]
InChI
InChI=1S/C25H25NO4.Ca/c27-18(14-19(28)15-23(29)30)12-13-21-24(16-6-2-1-3-7-16)20-8-4-5-9-22(20)26-25(21)17-10-11-17;/h1-9,12-13,17-19,27-28H,10-11,14-15H2,(H,29,30);/q;+2/p-1/b13-12+;/t18-,19-;/m1./s1
InChIKey
FSKVXRACBGHHRR-FEAXRLLYSA-M
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
32
Fraction Csp3
0.28
Rotatable bonds
16
H-bond acceptors
10
H-bond donors
4
Molar refractivity
234.64
TPSA
186.96
LogP / Solubility
WLOGP
5.71
MLOGP
5.1
XLogP3
5.71
Consensus LogP
5.51
Log S (ESOL)
-8.01
Class (ESOL)
Insoluble
Log S (Ali)
-10.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.81
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5
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