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CAS 145767-78-8 5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene molecular structure lightbox
CAS RN: 145767-78-8

5-Bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250607 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-056998
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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 145767-78-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

145767-78-8 / 5-bromo-1,3-difluoro-2-(2,2,2-trifluoroethoxy)benzene

Standard CAS: 145767-78-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145767-78-8
Multi CAS
No
Molecular Formula
C8H4BrF5O
Molecular Weight
291.010000
Exact Mass
289.936570
SMILES
C1=C(C=C(C(=C1F)OCC(F)(F)F)F)Br
InChI
InChI=1S/C8H4BrF5O/c9-4-1-5(10)7(6(11)2-4)15-3-8(12,13)14/h1-2H,3H2
InChIKey
PKBORPYIKXALHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
45.61
TPSA
9.23

LogP / Solubility

WLOGP
3.67
MLOGP
3.24
XLogP3
3.9
Consensus LogP
3.6
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
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)
-1.89

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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