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CAS 1810004-87-5 3,6-di-tert.-butyl-9-mesityl-phenylacridin-10-ium tetrafluoroborate molecular structure lightbox
CAS RN: 1810004-87-5

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

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250605 100mg / 250mg / 1g Confirm by inquiry Shanghai, Guangdong Inquiry
Batchno.20250114 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250627 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250902 25g In stock Shanghai Inquiry
Batchno.20260120 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-082291
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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 1810004-87-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

1810004-87-5 / 3,6-ditert-butyl-10-phenyl-9-(2,4,6-trimethylphenyl)acridin-10-ium tetrafluoroborate

Standard CAS: 1810004-87-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1810004-87-5
Multi CAS
No
Molecular Formula
C36H40BF4N
Molecular Weight
573.500000
Exact Mass
573.318993
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)C5=CC=CC=C5)C(C)(C)C)C
InChI
InChI=1S/C36H40N.BF4/c1-23-19-24(2)33(25(3)20-23)34-29-17-15-26(35(4,5)6)21-31(29)37(28-13-11-10-12-14-28)32-22-27(36(7,8)9)16-18-30(32)34;2-1(3,4)5/h10-22H,1-9H3;/q+1;-1
InChIKey
YUNSHKYOOCWQRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
26
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
170.22
TPSA
3.88

LogP / Solubility

WLOGP
10.76
MLOGP
9.51
XLogP3
10.76
Consensus LogP
10.34
Log S (ESOL)
-10.5
Class (ESOL)
Insoluble
Log S (Ali)
-12.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.56
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)
1.42

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
5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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