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CAS 2054779-48-3 3,6-di-tert-butyl-9-mesityl-10-methylacridin-10-ium tetrafluoroborate molecular structure lightbox
CAS RN: 2054779-48-3

3,6-di-tert-butyl-9-mesityl-10-methylacridin-10-ium tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260506 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260102 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251210 1g In stock Shanghai Inquiry
Batchno.20251108 250mg In stock Shanghai Inquiry
Batchno.20250120 50mg In stock Shanghai Inquiry
  • Product code: SSC-096618
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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: ＞97%
  • 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 2054779-48-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2054779-48-3 / 3,6-ditert-butyl-10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate

Standard CAS: 2054779-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2054779-48-3
Multi CAS
No
Molecular Formula
C31H38BF4N
Molecular Weight
511.400000
Exact Mass
511.303343
SMILES
[B-](F)(F)(F)F.CC1=CC(=C(C(=C1)C)C2=C3C=CC(=CC3=[N+](C4=C2C=CC(=C4)C(C)(C)C)C)C(C)(C)C)C
InChI
InChI=1S/C31H38N.BF4/c1-19-15-20(2)28(21(3)16-19)29-24-13-11-22(30(4,5)6)17-26(24)32(10)27-18-23(31(7,8)9)12-14-25(27)29;2-1(3,4)5/h11-18H,1-10H3;/q+1;-1
InChIKey
WNCYSGWUTZHTHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
20
Fraction Csp3
0.39
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
149.86
TPSA
3.88

LogP / Solubility

WLOGP
9.3
MLOGP
8.23
XLogP3
9.3
Consensus LogP
8.94
Log S (ESOL)
-9.21
Class (ESOL)
Insoluble
Log S (Ali)
-10.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.83
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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