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CAS 169247-46-5 2-(benzyloxy)-5-broMo-1-trifluoroMethylbenzene molecular structure lightbox
CAS RN: 169247-46-5

2-(benzyloxy)-5-broMo-1-trifluoroMethylbenzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250220 1g / 5g / 25g Out of stock 8-10 business days Inquiry
  • Product code: SSC-073861
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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: 5g
  • 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 169247-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

169247-46-5 / 4-bromo-1-phenylmethoxy-2-(trifluoromethyl)benzene

Standard CAS: 169247-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
169247-46-5
Multi CAS
No
Molecular Formula
C14H10BrF3O
Molecular Weight
331.130000
Exact Mass
329.986710
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C(F)(F)F
InChI
InChI=1S/C14H10BrF3O/c15-11-6-7-13(12(8-11)14(16,17)18)19-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
QTPKEFVNEOEGGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
69.92
TPSA
9.23

LogP / Solubility

WLOGP
5.05
MLOGP
4.46
XLogP3
5
Consensus LogP
4.84
Log S (ESOL)
-5.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.16

Drug-likeness / Medicinal Chemistry

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

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