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CAS 261763-18-2 3-CHLORO-4-(TRIFLUOROMETHOXY)BENZYL BROMIDE molecular structure lightbox
CAS RN: 261763-18-2

3-CHLORO-4-(TRIFLUOROMETHOXY)BENZYL BROMIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-123224
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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: ＞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 261763-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

261763-18-2 / 4-(bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene

Standard CAS: 261763-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261763-18-2
Multi CAS
No
Molecular Formula
C8H5BrClF3O
Molecular Weight
289.470000
Exact Mass
287.916440
SMILES
C1=CC(=C(C=C1CBr)Cl)OC(F)(F)F
InChI
InChI=1S/C8H5BrClF3O/c9-4-5-1-2-7(6(10)3-5)14-8(11,12)13/h1-3H,4H2
InChIKey
YTXRMMJPEBWDPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.77
TPSA
9.23

LogP / Solubility

WLOGP
4.13
MLOGP
3.65
XLogP3
4.1
Consensus LogP
3.96
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.21
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)
-1.55

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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