![CAS 78650-16-5 1,3,5-TRIAZINO[1,2-A]BENZIMIDAZOL-2-AMINE, 4-METHYL- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78650-16-5.gif)
CAS RN: 78650-16-5
1,3,5-TRIAZINO[1,2-A]BENZIMIDAZOL-2-AMINE, 4-METHYL-
- Product code: SSC-188001
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 |
78650-16-5 / 4-methyl-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Basic Information
CAS
78650-16-5
Multi CAS
Yes
Molecular Formula
C10H9N5
Molecular Weight
199.210000
Exact Mass
199.085795
InChI
InChI=1S/C10H9N5/c1-6-12-9(11)14-10-13-7-4-2-3-5-8(7)15(6)10/h2-5H,1H3,(H2,11,13,14)
InChIKey
JYUMVHXSEQXABG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
13
Fraction Csp3
0.1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
57.44
TPSA
69.1
LogP / Solubility
WLOGP
1.17
MLOGP
1.03
XLogP3
2.4
Consensus LogP
1.53
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.92
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)
-3.11
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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