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CAS 946607-10-9 1,3-DI-TERT-BUTYLBENZIMIDAZOLIUM CHLORIDE molecular structure lightbox
CAS RN: 946607-10-9

1,3-DI-TERT-BUTYLBENZIMIDAZOLIUM CHLORIDE

Product Availability

Choose a grade to view its available package options.

7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251209 1g In stock Inquiry
Batchno.20251207 250mg In stock Inquiry
Batchno.20251012 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250627 100mg Out of stock Inquiry
Batchno.20250119 1g Out of stock Inquiry
Batchno.20250612 250mg Out of stock Inquiry
Batchno.20251003 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-209806
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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 946607-10-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

946607-10-9 / 1,3-ditert-butylbenzimidazol-3-ium chloride

Standard CAS: 946607-10-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
946607-10-9
Multi CAS
No
Molecular Formula
C15H23CLN2
Molecular Weight
266.810000
Exact Mass
266.154976
InChI
InChI=1S/C15H23N2.ClH/c1-14(2,3)16-11-17(15(4,5)6)13-10-8-7-9-12(13)16;/h7-11H,1-6H3;1H/q+1;/p-1
InChIKey
CMQDFXSMZLANNA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
72.13
TPSA
8.81

LogP / Solubility

WLOGP
0.44
MLOGP
0.4
XLogP3
0.44
Consensus LogP
0.43
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-4.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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