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CAS 83015-33-2 (2-bromo-1,1,2,2-tetrafluoroethyl)(phenyl)sulfane molecular structure lightbox
CAS RN: 83015-33-2

(2-bromo-1,1,2,2-tetrafluoroethyl)(phenyl)sulfane

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250206 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260125 1g In stock Shanghai Inquiry
Batchno.20250420 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250220 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS83015-33-2
  • Purity/Analytical Methods: >99.0%
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83015-33-2 / (2-bromo-1,1,2,2-tetrafluoroethyl)sulfanylbenzene

Standard CAS: 83015-33-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
83015-33-2
Multi CAS
No
Molecular Formula
BC8H5Rf4S
Molecular Weight
289.090000
Exact Mass
287.923150
InChI
InChI=1S/C8H5BrF4S/c9-7(10,11)8(12,13)14-6-4-2-1-3-5-6/h1-5H
InChIKey
ACKRNLPIVVTRML-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
51.12
TPSA
25.3000

LogP / Solubility

WLOGP
4.36
MLOGP
3.85
XLogP3
4.7
Consensus LogP
4.3
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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)
-1.39

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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