CAS 1500844-32-5 2-(Cyanomethyl)-6-(trifluoromethyl)benzimidazole molecular structure

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CAS RN: 1500844-32-5

2-(Cyanomethyl)-6-(trifluoromethyl)benzimidazole

Product code: SSC-060044

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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
Available purity: ≥95%
Inventory rows with stock: 3
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 1500844-32-5
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
0.1g	≥95%	5 In Stock	Shenzhen	Inquiry
0.25g	≥95%	5 In Stock	Beijing	Inquiry
1g	≥95%	5 In Stock	Hong Kong	Inquiry

1500844-32-5 / 2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]acetonitrile

Standard CAS: 1500844-32-5 Multi CAS: No

Basic Information Computed Properties

Basic Information

CAS

1500844-32-5

Multi CAS

Molecular Formula

C10H6F3N3

Molecular Weight

225.170000

Exact Mass

225.051382

SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=N2)CC#N

InChI

InChI=1S/C10H6F3N3/c11-10(12,13)6-1-2-7-8(5-6)16-9(15-7)3-4-14/h1-2,5H,3H2,(H,15,16)

InChIKey

IFSWUJHOYKYNBX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.2

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

50.41

TPSA

52.47

LogP / Solubility

WLOGP

2.65

MLOGP

2.33

XLogP3

2.1

Consensus LogP

2.36

Log S (ESOL)

-3.25

Class (ESOL)

Poorly soluble

Log S (Ali)

-3.32

Class (Ali)

Poorly soluble

Log S (SILICOS-IT)

-3.44

Class (SILICOS-IT)

Poorly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

Yes

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.21

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Applications of CAS 1500844-32-5

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1500844-32-5 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.

Storage & Handling

Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.

Quotation & Packaging

Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.

Quality & Compliance

Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.