![CAS 78650-01-8 1,3,5-Triazino[1,2-a]benzimidazol-2-amine,1,4-dihydro-(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78650-01-8.gif)
CAS RN: 78650-01-8
1,3,5-Triazino[1,2-a]benzimidazol-2-amine,1,4-dihydro-(9CI)
- Product code: SSC-188000
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: ≥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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
78650-01-8 / 1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Basic Information
CAS
78650-01-8
Multi CAS
No
Molecular Formula
C9H9N5
Molecular Weight
187.200000
Exact Mass
187.085795
InChI
InChI=1S/C9H9N5/c10-8-11-5-14-7-4-2-1-3-6(7)12-9(14)13-8/h1-4H,5H2,(H3,10,11,12,13)
InChIKey
GJRGAHXIMACQSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
H-bond acceptors
5
H-bond donors
2
Molar refractivity
54.98
TPSA
68.23
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
XLogP3
0.3
Consensus LogP
0.56
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.49
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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