CAS RN: 549488-76-8
2-Amino-5-(1-methylethyl)benzonitrile
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250917 | 100mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250919 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260123 | 1g | In stock | Tianjin | Inquiry |
| Batchno.20250705 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260328 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-162771
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 | Shanghai | Inquiry |
549488-76-8 / 2-amino-5-propan-2-ylbenzonitrile
Basic Information
CAS
549488-76-8
Multi CAS
No
Molecular Formula
C10H12N2
Molecular Weight
160.220000
Exact Mass
160.100048
InChI
InChI=1S/C10H12N2/c1-7(2)8-3-4-10(12)9(5-8)6-11/h3-5,7H,12H2,1-2H3
InChIKey
IJUCGGBOPBJYSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.66
TPSA
49.81
LogP / Solubility
WLOGP
2.26
MLOGP
1.99
XLogP3
2.6
Consensus LogP
2.28
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.09
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
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