CAS RN: 83015-29-6

Benzene, 1-(2-bromo-1,1,2,2-tetrafluoroethoxy)-4-chloro-

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5 package records3 with current stock1 grade group
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Batchno.20250216 100mg In stock Tianjin Inquiry
Batchno.20250102 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20251214 1g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250104 250mg In stock Shenzhen Inquiry
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  • Product code: starshine_CAS83015-29-6
  • Purity/Analytical Methods: >99.0%
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83015-29-6 / 1-(2-bromo-1,1,2,2-tetrafluoroethoxy)-4-chlorobenzene

Standard CAS: 83015-29-6 Multi CAS: No

Basic Information

CAS
83015-29-6
Multi CAS
No
Molecular Formula
C8H4BRCLF4O
Molecular Weight
307.470000
Exact Mass
305.907020
InChI
InChI=1S/C8H4BrClF4O/c9-7(11,12)8(13,14)15-6-3-1-5(10)2-4-6/h1-4H
InChIKey
PWHBBVMSLDJINB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.9
TPSA
9.23

LogP / Solubility

WLOGP
4.3
MLOGP
3.8
XLogP3
4.8
Consensus LogP
4.3
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

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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