![CAS 1226781-80-1 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226781-80-1.gif)
CAS RN: 1226781-80-1
2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: SSC-025792
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
- 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.
1226781-80-1 / 2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
Basic Information
CAS
1226781-80-1
Multi CAS
No
Molecular Formula
C6H9N3O2S
Molecular Weight
187.220000
Exact Mass
187.041548
SMILES
CS(=O)(=O)N1C=C2CNCC2=N1
InChI
InChI=1S/C6H9N3O2S/c1-12(10,11)9-4-5-2-7-3-6(5)8-9/h4,7H,2-3H2,1H3
InChIKey
BUJWKBIFOTURDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
43.01
TPSA
63.99
LogP / Solubility
WLOGP
-0.71
MLOGP
-0.62
XLogP3
-1.1
Consensus LogP
-0.81
Log S (ESOL)
-0.8
Class (ESOL)
Very soluble
Log S (Ali)
-0.59
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1226781-81-2 tert-butyl 1-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl 1-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
- CAS RN: 1226781-81-2
- Product Code: SSC-025793
-
tert-butyl 2-(Methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
- CAS RN: 1226781-82-3
- Product Code: SSC-025794
-
Norpterosin B glucoside
- CAS RN: 1226785-88-1
- Product Code: starshine_CAS1226785-88-1
- Purity/Analytical method: >99.0%
-
4-Chloro-2-difluoromethyl-6-methyl-pyridine
- CAS RN: 1226800-12-9
- Product Code: SSC-025795
-
4-Chloro-5-methyl-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
- CAS RN: 1226804-06-3
- Product Code: SSC-025797
-
![CAS 1226781-81-2 tert-butyl 1-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226781-81-2.gif)
![CAS 1226781-82-3 tert-butyl 2-(Methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226781-82-3.gif)
![CAS 1226804-06-3 4-Chloro-5-methyl-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1226804-06-3.gif)
