![CAS 1211594-23-8 5-fluoro-2,3-dihydrospiro[indene-1,2′-pyrrolidine] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1211594-23-8.gif)
CAS RN: 1211594-23-8
5-fluoro-2,3-dihydrospiro[indene-1,2′-pyrrolidine]
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250423 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1211594-23-8
- Purity/Analytical Methods: >99.0%
1211594-23-8 / 6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]
5-fluoro-2,3-dihydrospiro[indene-1,2'-pyrrolidine] | 6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine] | 5-Fluoro-2,3-dihydrospiro[indene-1,2/'-pyrrolidine]
Basic Information
CAS
1211594-23-8
Multi CAS
No
Molecular Formula
C12H14FN
Molecular Weight
191.240000
Exact Mass
191.111028
SMILES
C1CC2(CCC3=C2C=CC(=C3)F)NC1
InChI
InChI=1S/C12H14FN/c13-10-2-3-11-9(8-10)4-6-12(11)5-1-7-14-12/h2-3,8,14H,1,4-7H2
InChIKey
MCQVKKSUGHTDKI-UHFFFAOYSA-N
Synonyms
5-fluoro-2,3-dihydrospiro[indene-1,2'-pyrrolidine]
6-fluorospiro[1,2-dihydroindene-3,2'-pyrrolidine]
5-Fluoro-2,3-dihydrospiro[indene-1,2/'-pyrrolidine]
MFCD11616031
YSCK0476
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.64
TPSA
12.03
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.1
Consensus LogP
2.17
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.22
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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