CAS RN: 372-91-8
1-FLUORO-4-IODOBUTANE
Product Availability
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2 package records2 with current stock2 grade groups
- Product code: starshine_CAS372-91-8
- Purity/Analytical Methods: >99.0%
372-91-8 / 1-fluoro-4-iodobutane
Basic Information
CAS
372-91-8
Multi CAS
No
Molecular Formula
C4FH8I
Molecular Weight
202.010000
Exact Mass
201.965480
InChI
InChI=1S/C4H8FI/c5-3-1-2-4-6/h1-4H2
InChIKey
RGFVICVNWNMBQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
34.1
TPSA
0.0000
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2.6
Consensus LogP
2.23
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly 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)
-2.41
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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