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CAS 131042-78-9 1,3-BIS(1-ADAMANTYL)IMIDAZOLIUM CHLORIDE molecular structure lightbox
CAS RN: 131042-78-9

1,3-BIS(1-ADAMANTYL)IMIDAZOLIUM CHLORIDE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260617 1g In stock Inquiry
Batchno.20260319 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250716 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260106 100mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20260525 1g In stock Shanghai Inquiry
Batchno.20250715 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-037702
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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: ≥95%
  • 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 131042-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

131042-78-9 / 1,3-bis(1-adamantyl)imidazol-1-ium chloride

Standard CAS: 131042-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131042-78-9
Multi CAS
No
Molecular Formula
C23H33ClN2
Molecular Weight
373.000000
Exact Mass
372.233227
SMILES
C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6.[Cl-]
InChI
InChI=1S/C23H33N2.ClH/c1-2-25(23-12-19-6-20(13-23)8-21(7-19)14-23)15-24(1)22-9-16-3-17(10-22)5-18(4-16)11-22;/h1-2,15-21H,3-14H2;1H/q+1;/p-1
InChIKey
PGYYVTILCOIEOP-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
96.92
TPSA
8.81

LogP / Solubility

WLOGP
1.63
MLOGP
1.46
XLogP3
1.63
Consensus LogP
1.57
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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