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CAS 893615-28-6 BENZONITRILE, 5-AMINO-4-BROMO-2-FLUORO molecular structure lightbox
CAS RN: 893615-28-6

BENZONITRILE, 5-AMINO-4-BROMO-2-FLUORO

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-201269
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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 893615-28-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

893615-28-6 / 5-amino-4-bromo-2-fluorobenzonitrile

Standard CAS: 893615-28-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893615-28-6
Multi CAS
No
Molecular Formula
BC7H4N2Rf
Molecular Weight
215.020000
Exact Mass
213.954190
InChI
InChI=1S/C7H4BrFN2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2H,11H2
InChIKey
OEUSZURPQIOSCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.23
TPSA
49.81

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
1.8
Consensus LogP
1.88
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.58

Drug-likeness / Medicinal Chemistry

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

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