CAS RN: 1159588-21-2
(Z)-Pitavastatin 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.20251114 | 1mg / 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1159588-21-2
- Purity/Analytical Methods: >99.0%
1159588-21-2 / calcium bis((Z,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate)
(Z)-Pitavastatin Calcium Salt | NCGC00381753-02
Basic Information
CAS
1159588-21-2
Multi CAS
Yes
Molecular Formula
C50H46CaF2N2O8
Molecular Weight
881.000000
Exact Mass
880.284814
SMILES
C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C\[C@@H](O)C[C@@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2]
InChI
InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11-/t18-,19-/m1/s1
InChIKey
VGYFMXBACGZSIL-DBBWNDPISA-M
Synonyms
(Z)-Pitavastatin Calcium Salt
NCGC00381753-02
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
32
Fraction Csp3
0.28
Rotatable bonds
16
H-bond acceptors
10
H-bond donors
4
Molar refractivity
234.56
TPSA
186.96
LogP / Solubility
WLOGP
5.99
MLOGP
5.35
XLogP3
5.99
Consensus LogP
5.78
Log S (ESOL)
-8.39
Class (ESOL)
Insoluble
Log S (Ali)
-11.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.27
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)
-3.84
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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