CAS RN: 83802-73-7
1H-Inden-5-ol, 6-fluoro-2,3-dihydro-
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS83802-73-7
- Purity/Analytical Methods: >99.0%
83802-73-7 / 6-fluoro-2,3-dihydro-1H-inden-5-ol
Basic Information
CAS
83802-73-7
Multi CAS
No
Molecular Formula
C9FH9O
Molecular Weight
152.160000
Exact Mass
152.063743
InChI
InChI=1S/C9H9FO/c10-8-4-6-2-1-3-7(6)5-9(8)11/h4-5,11H,1-3H2
InChIKey
BKRPFPRKAMQQCW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.09
TPSA
20.23
LogP / Solubility
WLOGP
2.02
MLOGP
1.77
XLogP3
2.5
Consensus LogP
2.1
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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