[email protected]
CAS 1514433-81-8 5-Bromo-2-(cyanomethyl)-6-fluorobenzimidazole molecular structure lightbox
CAS RN: 1514433-81-8

5-Bromo-2-(cyanomethyl)-6-fluorobenzimidazole

  • Product code: SSC-061284
GET A QUOTE
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: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1514433-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 5 In Stock Hong Kong Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1514433-81-8 / 2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)acetonitrile

Standard CAS: 1514433-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1514433-81-8
Multi CAS
No
Molecular Formula
C9H5BrFN3
Molecular Weight
254.060000
Exact Mass
252.965090
SMILES
C1=C2C(=CC(=C1F)Br)N=C(N2)CC#N
InChI
InChI=1S/C9H5BrFN3/c10-5-3-7-8(4-6(5)11)14-9(13-7)1-2-12/h3-4H,1H2,(H,13,14)
InChIKey
CHZGWRCSNFMBSC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.07
TPSA
52.47

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

Applications of CAS 1514433-81-8

This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 1514433-81-8 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.

Customers Also Viewed

Get In Touch

Contact Us