CAS RN: 281211-09-4
N-(tert-Butyl)-3,6,7-trichloroquinoxalin-2-amine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-128820
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 | Shanghai | Inquiry |
281211-09-4 / N-tert-butyl-3,6,7-trichloroquinoxalin-2-amine
Basic Information
CAS
281211-09-4
Multi CAS
No
Molecular Formula
C12H12Cl3N3
Molecular Weight
304.600000
Exact Mass
303.009680
InChI
InChI=1S/C12H12Cl3N3/c1-12(2,3)18-11-10(15)16-8-4-6(13)7(14)5-9(8)17-11/h4-5H,1-3H3,(H,17,18)
InChIKey
VYVZWMSFMRFPIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.94
TPSA
37.81
LogP / Solubility
WLOGP
4.8
MLOGP
4.24
XLogP3
4.7
Consensus LogP
4.58
Log S (ESOL)
-5.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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