Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 1g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 8
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 3 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 3 In Stock | Beijing | Inquiry |
| 1g | -- | 2 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 10g | -- | 1 In Stock | Shenzhen | Inquiry |
| 10g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 25g | -- | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Shanghai | Inquiry |
5334-43-0 / 5-amino-1-phenylpyrazole-4-carbonitrile
Basic Information
CAS
5334-43-0
Multi CAS
Yes
Molecular Formula
C10H8N4
Molecular Weight
184.200000
Exact Mass
184.074896
InChI
InChI=1S/C10H8N4/c11-6-8-7-13-14(10(8)12)9-4-2-1-3-5-9/h1-5,7H,12H2
InChIKey
MAKQREKUUHPPIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
52.69
TPSA
67.63
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.8
Consensus LogP
1.43
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.9
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 5334-48-5 4-CHLORO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-CHLORO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE
- CAS RN: 5334-48-5
- Product Code: SSC-160638
-
1-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
- CAS RN: 5334-56-5
- Product Code: SSC-160639
-
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl- (9CI)
- CAS RN: 5334-99-6
- Product Code: SSC-160640
-
-
9-Anthraceneacrylic acid
- CAS RN: 5335-33-1
- Product Code: starshine_CAS5335-33-1
- Purity/Analytical method: >99.0%
-
![CAS 5334-48-5 4-CHLORO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5334-48-5.gif)
![CAS 5334-56-5 1-METHYL-1,5-DIHYDRO-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5334-56-5.gif)
![CAS 5334-99-6 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 1-methyl- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5334-99-6.gif)
