![CAS 1447997-32-1 5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1447997-32-1(2).gif)
CAS RN: 1447997-32-1
5,5-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
- Product code: SSC-056107
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: 1g
- Available purity: ＞97%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1447997-32-1 / 5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazole
Basic Information
CAS
1447997-32-1
Multi CAS
No
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
SMILES
CC1(CC2=CC=NN2C1)C
InChI
InChI=1S/C8H12N2/c1-8(2)5-7-3-4-9-10(7)6-8/h3-4H,5-6H2,1-2H3
InChIKey
XSTHAMSNEGCYGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.62
H-bond acceptors
2
Molar refractivity
39.71
TPSA
17.82
LogP / Solubility
WLOGP
1.47
MLOGP
1.28
XLogP3
1.4
Consensus LogP
1.38
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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