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CAS 852103-59-4 1-bromo-8-(trifluoromethyl)naphthalene molecular structure lightbox
CAS RN: 852103-59-4

1-bromo-8-(trifluoromethyl)naphthalene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260118 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-193450
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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 852103-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

852103-59-4 / 1-bromo-8-(trifluoromethyl)naphthalene

Standard CAS: 852103-59-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
852103-59-4
Multi CAS
No
Molecular Formula
BC11H6Rf3
Molecular Weight
275.060000
Exact Mass
273.960500
InChI
InChI=1S/C11H6BrF3/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13,14)15/h1-6H
InChIKey
KTNBHVJATYODNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.09
H-bond acceptors
3
Molar refractivity
56.65
TPSA
0.0000

LogP / Solubility

WLOGP
4.62
MLOGP
4.08
XLogP3
4.7
Consensus LogP
4.47
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12

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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