![CAS 1346674-23-4 3,4,7,8-tetrahydro-7,7-dimethyl-2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346674-23-4.gif)
CAS RN: 1346674-23-4
3,4,7,8-tetrahydro-7,7-dimethyl-2H-Cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-042574
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g, 1g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1346674-23-4 / 4,4-dimethyl-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-9-one
Basic Information
CAS
1346674-23-4
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
SMILES
CC1(CC2=C(C1)N3CCNC(=O)C3=C2)C
InChI
InChI=1S/C12H16N2O/c1-12(2)6-8-5-9-11(15)13-3-4-14(9)10(8)7-12/h5H,3-4,6-7H2,1-2H3,(H,13,15)
InChIKey
XIUNFLQSJSCQRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
5
Fraction Csp3
0.58
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.95
TPSA
34.03
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
1.5
Consensus LogP
1.35
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]
Precautionary Statement Codes
P260, P264, P270, P308+P316, P405, and P501
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3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]aMino]-
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- Product Code: SSC-042580
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![CAS 1346675-25-9 2-(7,7-dimethyl-4-oxo-1,2,6,8-tetrahydrocyclopenta[3,4]pyrrolo[3,5-b]pyrazin-3-yl)-4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346675-25-9.gif)
![CAS 1346676-30-9 2-(Acetoxymethyl)-3-(7,7-dimethyl-1-oxo-3,4,7,8-tetrahydro-1H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-2(6H)-yl)phenylboronic Acid Pinacol Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346676-30-9.gif)
![CAS 1346683-42-8 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]aMino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1346683-42-8.gif)
