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CAS 2368-49-2 1,3,5-tribromo-2,4,6-trifluoro-benzene molecular structure lightbox
CAS RN: 2368-49-2

1,3,5-tribromo-2,4,6-trifluoro-benzene

  • Product code: SSC-115185
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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: 5g
  • 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 2368-49-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

2368-49-2 / 1,3,5-tribromo-2,4,6-trifluorobenzene

Standard CAS: 2368-49-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2368-49-2
Multi CAS
No
Molecular Formula
C6Br3F3
Molecular Weight
368.770000
Exact Mass
367.748170
SMILES
C1(=C(C(=C(C(=C1Br)F)Br)F)Br)F
InChI
InChI=1S/C6Br3F3/c7-1-4(10)2(8)6(12)3(9)5(1)11
InChIKey
QKWXXOBRXUWWSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
3
Molar refractivity
49.42
TPSA
0.0000

LogP / Solubility

WLOGP
4.39
MLOGP
3.88
XLogP3
4.3
Consensus LogP
4.19
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.85

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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