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CAS 302911-98-4 2,5-BIS(TRIFLUOROMETHYL)BENZYL BROMIDE molecular structure lightbox
CAS RN: 302911-98-4

2,5-BIS(TRIFLUOROMETHYL)BENZYL BROMIDE

  • Product code: SSC-134264
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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 302911-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

302911-98-4 / 2-(bromomethyl)-1,4-bis(trifluoromethyl)benzene

Standard CAS: 302911-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
302911-98-4
Multi CAS
Yes
Molecular Formula
BC9H5Rf6
Molecular Weight
307.030000
Exact Mass
305.947880
InChI
InChI=1S/C9H5BrF6/c10-4-5-3-6(8(11,12)13)1-2-7(5)9(14,15)16/h1-3H,4H2
InChIKey
CHSQGVCRNVEWIA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
49.08
TPSA
0.0000

LogP / Solubility

WLOGP
4.62
MLOGP
4.08
XLogP3
4.2
Consensus LogP
4.3
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.61
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
No
Log Kp (skin permeation)
-1.31

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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