![CAS 78650-05-2 4-(3-nitrophenyl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78650-05-2.gif)
CAS RN: 78650-05-2
4-(3-nitrophenyl)-4,10-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260318 | 5mg / 10mg / 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS78650-05-2
- Purity/Analytical Methods: >99.0%
78650-05-2 / 4-(3-nitrophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
Basic Information
CAS
78650-05-2
Multi CAS
No
Molecular Formula
C15H12N6O2
Molecular Weight
308.290000
Exact Mass
308.102174
InChI
InChI=1S/C15H12N6O2/c16-14-18-13(9-4-3-5-10(8-9)21(22)23)20-12-7-2-1-6-11(12)17-15(20)19-14/h1-8,13H,(H3,16,17,18,19)
InChIKey
MKPGPLNWEGNLML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
86.21
TPSA
111.37
LogP / Solubility
WLOGP
2.23
MLOGP
1.98
XLogP3
1.8
Consensus LogP
2
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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