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CAS 640280-28-0 4-Bromo-3-iodobenzotrifluoride molecular structure lightbox
CAS RN: 640280-28-0

4-Bromo-3-iodobenzotrifluoride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251126 1g / 5g / 25g / 100g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-173814
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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: 25g
  • 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 640280-28-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

640280-28-0 / 1-bromo-2-iodo-4-(trifluoromethyl)benzene

Standard CAS: 640280-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
640280-28-0
Multi CAS
No
Molecular Formula
BC7H3IRf3
Molecular Weight
350.900000
Exact Mass
349.841490
InChI
InChI=1S/C7H3BrF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H
InChIKey
NBSGEAPKXCFNTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
51.86
TPSA
0.0000

LogP / Solubility

WLOGP
4.07
MLOGP
3.6
XLogP3
4.1
Consensus LogP
3.92
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-1.97

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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