CAS RN: 592-50-7
1-FLUOROPENTANE
Product Availability
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2 package records1 with current stock2 grade groups
- Product code: starshine_CAS592-50-7
- Purity/Analytical Methods: >99.0%
592-50-7 / 1-fluoropentane
Basic Information
CAS
592-50-7
Multi CAS
No
Molecular Formula
C5FH11
Molecular Weight
90.140000
Exact Mass
90.084479
InChI
InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey
OEPRBXUJOQLYID-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
25.5
TPSA
0.0000
LogP / Solubility
WLOGP
2.15
MLOGP
1.88
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.39
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)
-1.75
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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