![CAS 913179-36-9 5′-Fluorospiro[cyclopropane-1,3′-indoline] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913179-36-9.gif)
CAS RN: 913179-36-9
5′-Fluorospiro[cyclopropane-1,3′-indoline]
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS913179-36-9
- Purity/Analytical Methods: >99.0%
913179-36-9 / 5-fluorospiro[1,2-dihydroindole-3,1'-cyclopropane]
Basic Information
CAS
913179-36-9
Multi CAS
No
Molecular Formula
C10FH10N
Molecular Weight
163.190000
Exact Mass
163.079727
InChI
InChI=1S/C10H10FN/c11-7-1-2-9-8(5-7)10(3-4-10)6-12-9/h1-2,5,12H,3-4,6H2
InChIKey
HJFDQUZANMKTQT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.8
TPSA
12.03
LogP / Solubility
WLOGP
2.28
MLOGP
2
XLogP3
2.3
Consensus LogP
2.19
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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