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CAS 1218778-19-8 N,N’-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazolium chloride molecular structure lightbox
CAS RN: 1218778-19-8

N,N’-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazolium chloride

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251215 100mg In stock Shanghai Inquiry
Batchno.20250131 1g In stock Shanghai Inquiry
Batchno.20260305 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260408 5g Out of stock Inquiry
  • Product code: SSC-024637
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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: 0.1g, 0.25g, 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 1218778-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Hong Kong Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1218778-19-8 / 1,3-bis(2,6-dibenzhydryl-4-methylphenyl)imidazol-1-ium chloride

Standard CAS: 1218778-19-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1218778-19-8
Multi CAS
No
Molecular Formula
C69H57ClN2
Molecular Weight
949.700000
Exact Mass
948.421028
SMILES
CC1=CC(=C(C(=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C=C[N+](=C4)C5=C(C=C(C=C5C(C6=CC=CC=C6)C7=CC=CC=C7)C)C(C8=CC=CC=C8)C9=CC=CC=C9)C(C1=CC=CC=C1)C1=CC=CC=C1.[Cl-]
InChI
InChI=1S/C69H57N2.ClH/c1-50-45-60(64(52-27-11-3-12-28-52)53-29-13-4-14-30-53)68(61(46-50)65(54-31-15-5-16-32-54)55-33-17-6-18-34-55)70-43-44-71(49-70)69-62(66(56-35-19-7-20-36-56)57-37-21-8-22-38-57)47-51(2)48-63(69)67(58-39-23-9-24-40-58)59-41-25-10-26-42-59;/h3-49,64-67H,1-2H3;1H/q+1;/p-1
InChIKey
SMTNUZDTTFSHEZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
65
Fraction Csp3
0.09
Rotatable bonds
14
H-bond acceptors
1
Molar refractivity
292.09
TPSA
8.81

LogP / Solubility

WLOGP
13.1
MLOGP
11.61
XLogP3
13.1
Consensus LogP
12.6
Log S (ESOL)
-13.72
Class (ESOL)
Insoluble
Log S (Ali)
-16.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.38
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)
0.78

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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