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CAS 1054543-47-3 BenzaMide, 4-[[2-[3,5-bis(trifluoroMethyl)phenyl]-4,5-bis(4-Methoxyphenyl)-1H-iMidazol-1-yl]Methyl]- molecular structure lightbox
CAS RN: 1054543-47-3

BenzaMide, 4-[[2-[3,5-bis(trifluoroMethyl)phenyl]-4,5-bis(4-Methoxyphenyl)-1H-iMidazol-1-yl]Methyl]-

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7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 100mg In stock Shanghai Inquiry
Batchno.20250911 1g In stock Shanghai Inquiry
Batchno.20250508 1mg In stock Shanghai, Tianjin Inquiry
Batchno.20250506 250mg In stock Shanghai Inquiry
Batchno.20260427 50mg In stock Shanghai Inquiry
Batchno.20260517 5mg In stock Shanghai Inquiry
  • Product code: SSC-007192
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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 1054543-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1054543-47-3 / 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide

Apoptozole | 4-((2-(3,5-bis(trifluoromethyl)phenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)benzamide | WD0EH16QCD

Standard CAS: 1054543-47-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1054543-47-3
Multi CAS
No
Molecular Formula
C33H25F6N3O3
Molecular Weight
625.600000
Exact Mass
625.180011
SMILES
COC1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CC4=CC=C(C=C4)C(=O)N)C5=CC=C(C=C5)OC
InChI
InChI=1S/C33H25F6N3O3/c1-44-26-11-7-20(8-12-26)28-29(21-9-13-27(45-2)14-10-21)42(18-19-3-5-22(6-4-19)30(40)43)31(41-28)23-15-24(32(34,35)36)17-25(16-23)33(37,38)39/h3-17H,18H2,1-2H3,(H2,40,43)
InChIKey
ZIMMTPFXOMAJTQ-UHFFFAOYSA-N
Synonyms
Apoptozole 4-((2-(3,5-bis(trifluoromethyl)phenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)benzamide WD0EH16QCD DTXSID201027756 Benzamide, 4-[[2-[3,5-bis(trifluoromethyl)phenyl]-4,5-bis(4-methoxyphenyl)-1H-imidazol-1-yl]methyl]-

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
29
Fraction Csp3
0.15
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
1
Molar refractivity
155.7
TPSA
79.37

LogP / Solubility

WLOGP
8.09
MLOGP
7.17
XLogP3
7.2
Consensus LogP
7.49
Log S (ESOL)
-8.76
Class (ESOL)
Insoluble
Log S (Ali)
-10.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5

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