CAS RN: 920501-51-5
2,3-DIHYDRO-6-FLUORO-1H-INDENE-1-CARBOXYLIC ACID
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS920501-51-5
- Purity/Analytical Methods: >99.0%
920501-51-5 / 6-fluoro-2,3-dihydro-1H-indene-1-carboxylic acid
Basic Information
CAS
920501-51-5
Multi CAS
No
Molecular Formula
C10FH9O2
Molecular Weight
180.170000
Exact Mass
180.058658
InChI
InChI=1S/C10H9FO2/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8H,2,4H2,(H,12,13)
InChIKey
VZDRQAOWBACVNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.1
TPSA
37.3
LogP / Solubility
WLOGP
1.94
MLOGP
1.7
XLogP3
1.9
Consensus LogP
1.85
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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