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CAS 402-07-3 4-BROMO-3-METHOXYBENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 402-07-3

4-BROMO-3-METHOXYBENZOTRIFLUORIDE

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251027 1g In stock Inquiry
Batchno.20260117 250mg In stock Inquiry
Batchno.20260417 25g In stock Inquiry
Batchno.20250906 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250617 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-148247
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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: ≥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 402-07-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

402-07-3 / 1-bromo-2-methoxy-4-(trifluoromethyl)benzene

Standard CAS: 402-07-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
402-07-3
Multi CAS
Yes
Molecular Formula
BC8H6ORf3
Molecular Weight
255.030000
Exact Mass
253.955410
InChI
InChI=1S/C8H6BrF3O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3
InChIKey
FQLLPTWRKUGXEN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.7
TPSA
9.23

LogP / Solubility

WLOGP
3.48
MLOGP
3.07
XLogP3
3.5
Consensus LogP
3.35
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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