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CAS 352-91-0 1-BROMO-3-FLUOROPROPANE molecular structure lightbox
CAS RN: 352-91-0

1-BROMO-3-FLUOROPROPANE

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250223 100g Out of stock Inquiry
Batchno.20250613 1g In stock Inquiry
Batchno.20260621 25g In stock Inquiry
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  • Product code: starshine_CAS352-91-0
  • Purity/Analytical Methods: >99.0%
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352-91-0 / 1-bromo-3-fluoropropane

Standard CAS: 352-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
352-91-0
Multi CAS
No
Molecular Formula
BC3H6Rf
Molecular Weight
140.980000
Exact Mass
139.963690
InChI
InChI=1S/C3H6BrF/c4-2-1-3-5/h1-3H2
InChIKey
VNHWPVLQRKKKRY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
24.39
TPSA
0.0000

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-2.34

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

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