[email protected]
CAS 261763-09-1 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE molecular structure lightbox
CAS RN: 261763-09-1

3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)BENZYL BROMIDE

  • Product code: SSC-123219
GET A QUOTE
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
Request Bulk Quote

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 261763-09-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

261763-09-1 / 1-(bromomethyl)-3-chloro-2-fluoro-5-(trifluoromethyl)benzene

Standard CAS: 261763-09-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261763-09-1
Multi CAS
No
Molecular Formula
C8H4BrClF4
Molecular Weight
291.470000
Exact Mass
289.912100
SMILES
C1=C(C=C(C(=C1CBr)F)Cl)C(F)(F)F
InChI
InChI=1S/C8H4BrClF4/c9-3-4-1-5(8(12,13)14)2-6(10)7(4)11/h1-2H,3H2
InChIKey
SPNVJHWULHTZHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
49.04
TPSA
0.0000

LogP / Solubility

WLOGP
4.39
MLOGP
3.88
XLogP3
4.1
Consensus LogP
4.12
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-1.38

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

Customers Also Viewed

Get In Touch

Contact Us