CAS RN: 71916-78-4
3H-SPIRO(1-BENZOFURAN-2,3”-PYRROLIDINE)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260421 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS71916-78-4
- Purity/Analytical Methods: >99.0%
71916-78-4 / spiro[3H-1-benzofuran-2,3'-pyrrolidine]
Basic Information
CAS
71916-78-4
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)7-11(13-10)5-6-12-8-11/h1-4,12H,5-8H2
InChIKey
GUHDZSDMRIYDIV-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
50.99
TPSA
21.26
LogP / Solubility
WLOGP
1.35
MLOGP
1.19
XLogP3
1.5
Consensus LogP
1.35
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-2.83
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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- Product Code: starshine_CAS71916-97-7
- Purity/Analytical method: >99.0%
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