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CAS 3832-48-2 BROMODIFLUOROACETYL CHLORIDE molecular structure lightbox
CAS RN: 3832-48-2

BROMODIFLUOROACETYL CHLORIDE

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4 package records4 with current stock1 grade group
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Batchno.20250121 100g In stock Inquiry
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  • Product code: starshine_CAS3832-48-2
  • Purity/Analytical Methods: >99.0%
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3832-48-2 / 2-bromo-2,2-difluoroacetyl chloride

Standard CAS: 3832-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3832-48-2
Multi CAS
No
Molecular Formula
C2BRCLF2O
Molecular Weight
193.370000
Exact Mass
191.878910
InChI
InChI=1S/C2BrClF2O/c3-2(5,6)1(4)7
InChIKey
LYJKGSALBRSKNL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
24.73
TPSA
17.07

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
2.3
Consensus LogP
1.86
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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