CAS RN: 159020-76-5
Benzonitrile, 2-amino-4-fluoro-6-methyl- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250722 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-067146
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: ＞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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
159020-76-5 / 2-amino-4-fluoro-6-methylbenzonitrile
Basic Information
CAS
159020-76-5
Multi CAS
No
Molecular Formula
C8H7FN2
Molecular Weight
150.150000
Exact Mass
150.059326
SMILES
CC1=CC(=CC(=C1C#N)N)F
InChI
InChI=1S/C8H7FN2/c1-5-2-6(9)3-8(11)7(5)4-10/h2-3H,11H2,1H3
InChIKey
LPXQZUBTGRJMLH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.26
TPSA
49.81
LogP / Solubility
WLOGP
1.59
MLOGP
1.39
XLogP3
2
Consensus LogP
1.66
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
O-(3-BROMOBENZYL)HYDROXYLAMINE HYDROCHLORIDE
- CAS RN: 159023-41-3
- Product Code: SSC-067148
-
-
Imidazo[1,2-b]pyridazine-6-carboxamide (9CI)
- CAS RN: 159045-50-8
- Product Code: starshine_CAS159045-50-8
- Purity/Analytical method: >99.0%
-
[(1R)-1-(4-CHLOROPHENYL)ETHYL]METHYLAMINE
- CAS RN: 159053-43-7
- Product Code: starshine_CAS159053-43-7
- Purity/Analytical method: >99.0%
-
[4(R)-[trans(trans)]]-1,3-Difluoro-2-[(1-methylheptyl)oxy]-5-(4′-propyl[1,1′-bicyclohexyl]-4-yl)benzene
- CAS RN: 159077-75-5
- Product Code: starshine_CAS159077-75-5
- Purity/Analytical method: >99.0%
-
Thieno[3,2-b]pyridine-5-carboxylic acid methyl ester
- CAS RN: 159084-44-3
- Product Code: SSC-067173
![CAS 159045-50-8 Imidazo[1,2-b]pyridazine-6-carboxamide (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159045-50-8.gif)
![CAS 159053-43-7 [(1R)-1-(4-CHLOROPHENYL)ETHYL]METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159053-43-7.gif)
![CAS 159077-75-5 [4(R)-[trans(trans)]]-1,3-Difluoro-2-[(1-methylheptyl)oxy]-5-(4′-propyl[1,1′-bicyclohexyl]-4-yl)benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159077-75-5.gif)
![CAS 159084-44-3 Thieno[3,2-b]pyridine-5-carboxylic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159084-44-3.gif)