![CAS 1210513-03-3 3′,4′-dihydro-2’H-spiro[cyclohexane-1,1′-pyrrolo[1,2-a]pyrazine](SALTDATA: FREE) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210513-03-3.gif)
CAS RN: 1210513-03-3
3′,4′-dihydro-2’H-spiro[cyclohexane-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.20260321 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1210513-03-3
- Purity/Analytical Methods: >99.0%
1210513-03-3 / spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclohexane]
3',4'-Dihydro-2'H-spiro[cyclohexane-1,1'-pyrrolo[1,2-a]pyrazine] | 3',4'-dihydro-2'H-spiro(cyclohexane-1,1'-pyrrolo(1,2-a)pyrazine) | RefChem:484520
Basic Information
CAS
1210513-03-3
Multi CAS
No
Molecular Formula
C12H18N2
Molecular Weight
190.280000
Exact Mass
190.146999
SMILES
C1CCC2(CC1)C3=CC=CN3CCN2
InChI
InChI=1S/C12H18N2/c1-2-6-12(7-3-1)11-5-4-9-14(11)10-8-13-12/h4-5,9,13H,1-3,6-8,10H2
InChIKey
OZCKMMNQSXHJHE-UHFFFAOYSA-N
Synonyms
3',4'-Dihydro-2'H-spiro[cyclohexane-1,1'-pyrrolo[1,2-a]pyrazine]
3',4'-dihydro-2'H-spiro(cyclohexane-1,1'-pyrrolo(1,2-a)pyrazine)
RefChem:484520
889-143-5
MFCD11868483
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.2
TPSA
16.96
LogP / Solubility
WLOGP
2.25
MLOGP
1.98
XLogP3
1.4
Consensus LogP
1.88
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
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![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)
