CAS RN: 89897-29-0
Pyrazole-4-carbonitrile, 3-amino-1-isopropyl- (7CI)
- Product code: SSC-202092
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
89897-29-0 / 3-amino-1-propan-2-ylpyrazole-4-carbonitrile
Basic Information
CAS
89897-29-0
Multi CAS
Yes
Molecular Formula
C7H10N4
Molecular Weight
150.180000
Exact Mass
150.090546
InChI
InChI=1S/C7H10N4/c1-5(2)11-4-6(3-8)7(9)10-11/h4-5H,1-2H3,(H2,9,10)
InChIKey
JJGDYVYAZMFKEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.74
TPSA
67.63
LogP / Solubility
WLOGP
0.92
MLOGP
0.8
XLogP3
0.9
Consensus LogP
0.87
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-2.98
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
-
-
-
-
METHYL 4′-CYANO[1,1′-BIPHENYL]-4-CARBOXYLATE
- CAS RN: 89900-95-8
- Product Code: starshine_CAS89900-95-8
- Purity/Analytical method: >99.0%
-
METHYL 2′-CYANO[1,1′-BIPHENYL]-4-CARBOXYLATE
- CAS RN: 89900-98-1
- Product Code: starshine_CAS89900-98-1
- Purity/Analytical method: >99.0%
-
METHYL 4′-CHLORO[1,1′-BIPHENYL]-4-CARBOXYLATE
- CAS RN: 89901-02-0
- Product Code: SSC-202098
![CAS 89900-95-8 METHYL 4′-CYANO[1,1′-BIPHENYL]-4-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89900-95-8.gif)
![CAS 89900-98-1 METHYL 2′-CYANO[1,1′-BIPHENYL]-4-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2346111.gif)
![CAS 89901-02-0 METHYL 4′-CHLORO[1,1′-BIPHENYL]-4-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89901-02-0.gif)