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CAS 916792-13-7 4-BROMO-2-FLUORO-5-METHYLBENZONITRILE molecular structure lightbox
CAS RN: 916792-13-7

4-BROMO-2-FLUORO-5-METHYLBENZONITRILE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260111 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-205062
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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: 1g, 0.25g, 5g, 10g
  • Available purity: ≥98%
  • Inventory rows with stock: 2
  • 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 916792-13-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 3 In Stock Beijing Inquiry
0.25g ≥98% 1 In Stock Beijing Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry
10g ≥98% 0 Out of Stock Shanghai Inquiry

916792-13-7 / 4-bromo-2-fluoro-5-methylbenzonitrile

Standard CAS: 916792-13-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916792-13-7
Multi CAS
No
Molecular Formula
BC8H5NRf
Molecular Weight
214.030000
Exact Mass
212.958940
InChI
InChI=1S/C8H5BrFN/c1-5-2-6(4-11)8(10)3-7(5)9/h2-3H,1H3
InChIKey
AVBKISZUVMWQIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
Molar refractivity
43.55
TPSA
23.79

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.06

Drug-likeness / Medicinal Chemistry

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

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