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CAS 1671098-46-6 1-(2,6-Diethylphenyl)-2,2,4-trimethyl-4-phenyl-3,4-dihydro-2H-pyrrol-1-ium Tetrafluoroborate molecular structure lightbox
CAS RN: 1671098-46-6

1-(2,6-Diethylphenyl)-2,2,4-trimethyl-4-phenyl-3,4-dihydro-2H-pyrrol-1-ium Tetrafluoroborate

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250930 10g In stock Shenzhen Inquiry
Batchno.20260527 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250912 25g Out of stock Inquiry
Batchno.20260104 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-072902
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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: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 12
  • 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 1671098-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Shanghai Inquiry
0.1g >98% 5 In Stock Shanghai Inquiry
0.25g -- 5 In Stock Shanghai Inquiry
0.25g >98% 5 In Stock Beijing Inquiry
1g -- 5 In Stock Beijing Inquiry
1g >98% 5 In Stock Hong Kong Inquiry
5g -- 5 In Stock Beijing Inquiry
5g >98% 5 In Stock Beijing Inquiry
10g -- 5 In Stock Hong Kong Inquiry
10g >98% 5 In Stock Beijing Inquiry
25g -- 5 In Stock Beijing Inquiry
25g >98% 5 In Stock Shenzhen Inquiry

1671098-46-6 / 1-(2,6-diethylphenyl)-2,2,4-trimethyl-4-phenyl-3H-pyrrol-1-ium tetrafluoroborate

Standard CAS: 1671098-46-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1671098-46-6
Multi CAS
No
Molecular Formula
C23H30BF4N
Molecular Weight
407.300000
Exact Mass
407.240743
SMILES
[B-](F)(F)(F)F.CCC1=C(C(=CC=C1)CC)[N+]2=CC(CC2(C)C)(C)C3=CC=CC=C3
InChI
InChI=1S/C23H30N.BF4/c1-6-18-12-11-13-19(7-2)21(18)24-17-23(5,16-22(24,3)4)20-14-9-8-10-15-20;2-1(3,4)5/h8-15,17H,6-7,16H2,1-5H3;/q+1;-1
InChIKey
DOHXJWZRIRXTKM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
113.86
TPSA
3.01

LogP / Solubility

WLOGP
6.97
MLOGP
6.16
XLogP3
6.97
Consensus LogP
6.7
Log S (ESOL)
-6.8
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.57
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

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