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CAS 1263377-74-7 1-Bromo-2,4-difluoro-3-(trifluoromethyl)benzene, 3-Bromo-alpha,alpha,alpha,2,6-pentafluorotoluene molecular structure lightbox
CAS RN: 1263377-74-7

1-Bromo-2,4-difluoro-3-(trifluoromethyl)benzene, 3-Bromo-alpha,alpha,alpha,2,6-pentafluorotoluene

  • Product code: SSC-033461
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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 1263377-74-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1263377-74-7 / 1-bromo-2,4-difluoro-3-(trifluoromethyl)benzene

Standard CAS: 1263377-74-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1263377-74-7
Multi CAS
No
Molecular Formula
C7H2BrF5
Molecular Weight
260.990000
Exact Mass
259.926000
SMILES
C1=CC(=C(C(=C1F)C(F)(F)F)F)Br
InChI
InChI=1S/C7H2BrF5/c8-3-1-2-4(9)5(6(3)10)7(11,12)13/h1-2H
InChIKey
SUHKWEINMZXPHI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
5
Molar refractivity
39.06
TPSA
0.0000

LogP / Solubility

WLOGP
3.75
MLOGP
3.3
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
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)
-1.65

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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