![CAS 57174-48-8 3H-SPIRO[2-BENZOFURAN-1,3”-PYRROLIDINE] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57174-48-8.gif)
CAS RN: 57174-48-8
3H-SPIRO[2-BENZOFURAN-1,3”-PYRROLIDINE]
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS57174-48-8
- Purity/Analytical Methods: >99.0%
57174-48-8 / spiro[1H-2-benzofuran-3,3'-pyrrolidine]
Basic Information
CAS
57174-48-8
Multi CAS
No
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
InChI
InChI=1S/C11H13NO/c1-2-4-10-9(3-1)7-13-11(10)5-6-12-8-11/h1-4,12H,5-8H2
InChIKey
CFCYRDQMSMOQMZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.4
TPSA
21.26
LogP / Solubility
WLOGP
1.41
MLOGP
1.23
XLogP3
0.7
Consensus LogP
1.11
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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