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CAS 134523-00-5 Atorvastatin molecular structure lightbox
CAS RN: 134523-00-5

Atorvastatin

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9 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250107 100mg Out of stock Inquiry
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Batchno.20250216 1mg In stock Shanghai Inquiry
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Batchno.20260419 1g In stock Shanghai Inquiry
Batchno.20250310 250mg In stock Shanghai, Guangdong Inquiry
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  • Product code: starshine_CAS134523-00-5
  • Purity/Analytical Methods: >99.0%
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134523-00-5 / (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid

Standard CAS: 134523-00-5 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
134523-00-5
Multi CAS
No
Molecular Formula
C33H35FN2O5
Molecular Weight
558.600000
Exact Mass
558.253000
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=C4
InChI
InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
InChIKey
XUKUURHRXDUEBC-KAYWLYCHSA-N

Physical Properties

Melting Point
159.1 - 190.6 °C
Physical Description
Solid
State
Solid
Storage Conditions
Store at controlled room temperature 20-25 °C.

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
23
Fraction Csp3
0.27
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
4
Molar refractivity
157.25
TPSA
111.79

LogP / Solubility

WLOGP
6.31
MLOGP
5.6
XLogP3
5
Consensus LogP
5.64
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.97
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)
-1.65

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361 (33.3%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H361f (33.3%): Suspected of damaging fertility [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P260, P261, P263, P264, P264+P265, P270, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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