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CAS 943528-40-3 2,4,6-tribromo-3,5-difluorobenzonitrile molecular structure lightbox
CAS RN: 943528-40-3

2,4,6-tribromo-3,5-difluorobenzonitrile

  • Product code: SSC-209066
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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: ≥95%
  • 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 943528-40-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

943528-40-3 / 2,4,6-tribromo-3,5-difluorobenzonitrile

Standard CAS: 943528-40-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
943528-40-3
Multi CAS
No
Molecular Formula
C7BR3F2N
Molecular Weight
375.790000
Exact Mass
374.752840
InChI
InChI=1S/C7Br3F2N/c8-3-2(1-13)4(9)7(12)5(10)6(3)11
InChIKey
AQPZRWDNSAKHNA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
54.17
TPSA
23.79

LogP / Solubility

WLOGP
4.12
MLOGP
3.65
XLogP3
3.9
Consensus LogP
3.89
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.08

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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