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CAS 134395-00-9 Atorvastatin tert-Butyl Ester molecular structure lightbox
CAS RN: 134395-00-9

Atorvastatin tert-Butyl Ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250921 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-042078
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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 134395-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

134395-00-9 / tert-butyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate

Standard CAS: 134395-00-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
134395-00-9
Multi CAS
No
Molecular Formula
C37H43FN2O5
Molecular Weight
614.700000
Exact Mass
614.315601
SMILES
CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C37H43FN2O5/c1-24(2)34-33(36(44)39-28-14-10-7-11-15-28)32(25-12-8-6-9-13-25)35(26-16-18-27(38)19-17-26)40(34)21-20-29(41)22-30(42)23-31(43)45-37(3,4)5/h6-19,24,29-30,41-42H,20-23H2,1-5H3,(H,39,44)/t29-,30-/m1/s1
InChIKey
GCPKKGVOCBYRML-LOYHVIPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
23
Fraction Csp3
0.35
Rotatable bonds
12
H-bond acceptors
6
H-bond donors
3
Molar refractivity
175.46
TPSA
100.79

LogP / Solubility

WLOGP
7.57
MLOGP
6.71
XLogP3
6.3
Consensus LogP
6.86
Log S (ESOL)
-8.01
Class (ESOL)
Insoluble
Log S (Ali)
-10.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.38
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)
-1.09

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

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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