![CAS 1210719-18-8 3′,4′-dihydro-2’H-spiro[cyclopentane-1,1′-pyrrolo[1,2-a]pyrazine](SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210719-18-8.gif)
CAS RN: 1210719-18-8
3′,4′-dihydro-2’H-spiro[cyclopentane-1,1′-pyrrolo[1,2-a]pyrazine](SALTDATA: FREE)
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.20251125 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1210719-18-8
- Purity/Analytical Methods: >99.0%
1210719-18-8 / spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclopentane]
3',4'-Dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine] | MFCD11868482 | spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclopentane]
Basic Information
CAS
1210719-18-8
Multi CAS
No
Molecular Formula
C11H16N2
Molecular Weight
176.260000
Exact Mass
176.131349
SMILES
C1CCC2(C1)C3=CC=CN3CCN2
InChI
InChI=1S/C11H16N2/c1-2-6-11(5-1)10-4-3-8-13(10)9-7-12-11/h3-4,8,12H,1-2,5-7,9H2
InChIKey
GVGZDJBTVHBYHL-UHFFFAOYSA-N
Synonyms
3',4'-Dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]
MFCD11868482
spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclopentane]
spiro[cyclopentane-1,1'(2'H)-pyrrolo[1,2-a]pyrazine], 3',4'-dihydro-
ALBB-021661
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.64
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.58
TPSA
16.96
LogP / Solubility
WLOGP
1.86
MLOGP
1.63
XLogP3
0.8
Consensus LogP
1.43
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
