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CAS 499238-36-7 4-BROMO-3,5-DIFLUOROBENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 499238-36-7

4-BROMO-3,5-DIFLUOROBENZOTRIFLUORIDE

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260312 100mg In stock Inquiry
Batchno.20251021 1g In stock Inquiry
Batchno.20260610 250mg In stock Inquiry
Batchno.20250324 50mg In stock Inquiry
  • Product code: SSC-156203
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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 499238-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

499238-36-7 / 2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene

Standard CAS: 499238-36-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
499238-36-7
Multi CAS
No
Molecular Formula
BC7H2Rf5
Molecular Weight
260.990000
Exact Mass
259.926000
InChI
InChI=1S/C7H2BrF5/c8-6-4(9)1-3(2-5(6)10)7(11,12)13/h1-2H
InChIKey
MJDJSTBBLBVDDK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
5
Molar refractivity
39.06
TPSA
0.0000

LogP / Solubility

WLOGP
3.75
MLOGP
3.3
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.65

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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