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CAS 147098-18-8 Rosuvastatin sodium molecular structure lightbox
CAS RN: 147098-18-8

Rosuvastatin sodium

Product Availability

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250410 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260701 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251123 25g In stock Shanghai Inquiry
Batchno.20260120 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251228 1g In stock Inquiry
Batchno.20250711 250mg In stock Inquiry
Batchno.20250513 5g In stock Inquiry
  • Product code: LINR875843
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147098-18-8 / sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate

Standard CAS: 147098-18-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
147098-18-8
Multi CAS
No
Molecular Formula
C22H27FN3NaO6S
Molecular Weight
503.500000
Exact Mass
503.150229
SMILES
CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]
InChI
InChI=1S/C22H28FN3O6S.Na/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;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1
InChIKey
RGEBGDYYHAFODH-DHMAKVBVSA-M

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
2
Molar refractivity
120.05
TPSA
143.75

LogP / Solubility

WLOGP
-1.93
MLOGP
-1.66
XLogP3
-1.93
Consensus LogP
-1.84
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501

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