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CAS 200132-54-3 O-Allyl-1-(anthracen-9-ylmethyl)cinchonidinium bromide molecular structure lightbox
CAS RN: 200132-54-3

O-Allyl-1-(anthracen-9-ylmethyl)cinchonidinium bromide

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 100g In stock Shanghai Inquiry
Batchno.20250714 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250928 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250905 25g In stock Shanghai Inquiry
Batchno.20250317 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251229 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-094201
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: Tech. 90%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 200132-54-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g Tech. 90% 3 In Stock Shanghai Inquiry
1g Tech. 90% 0 Out of Stock Hong Kong Inquiry
5g Tech. 90% 0 Out of Stock Hong Kong Inquiry

200132-54-3 / 4-[[1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline bromide

Standard CAS: 200132-54-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
200132-54-3
Multi CAS
No
Molecular Formula
C37H37BrN2O
Molecular Weight
605.600000
Exact Mass
604.208930
SMILES
C=CCOC(C1CC2CC[N+]1(CC2C=C)CC3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=NC7=CC=CC=C67.[Br-]
InChI
InChI=1S/C37H37N2O.BrH/c1-3-21-40-37(33-17-19-38-35-16-10-9-15-32(33)35)36-23-27-18-20-39(36,24-26(27)4-2)25-34-30-13-7-5-11-28(30)22-29-12-6-8-14-31(29)34;/h3-17,19,22,26-27,36-37H,1-2,18,20-21,23-25H2;1H/q+1;/p-1
InChIKey
QOWNPAUSLGATNL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
165.98
TPSA
22.12

LogP / Solubility

WLOGP
5.4
MLOGP
4.8
XLogP3
5.4
Consensus LogP
5.2
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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