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CAS 1422619-13-3 Rosuvastatin IMpurity SodiuM Salt (5-Oxo Rosuvastatin SodiuM Salt) molecular structure lightbox
CAS RN: 1422619-13-3

Rosuvastatin IMpurity SodiuM Salt (5-Oxo Rosuvastatin SodiuM Salt)

  • Product code: SSC-053062
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1422619-13-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1422619-13-3 / (E,3R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3-hydroxy-5-oxohept-6-enoic acid

Standard CAS: 1422619-13-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1422619-13-3
Multi CAS
No
Molecular Formula
C22H26FN3O6S
Molecular Weight
479.500000
Exact Mass
479.152635
SMILES
CC(C)C1=NC(=NC(=C1/C=C/C(=O)C[C@H](CC(=O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI
InChI=1S/C22H26FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,17,28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t17-/m1/s1
InChIKey
SGVASDMKSZUTTN-OAGJVSPASA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
2
Molar refractivity
121.68
TPSA
137.76

LogP / Solubility

WLOGP
2.61
MLOGP
2.33
XLogP3
1.5
Consensus LogP
2.15
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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