CAS RN: 41394-05-2
Metamitron
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
- Product code: SSC-149838
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 |
41394-05-2 / 4-amino-3-methyl-6-phenyl-1,2,4-triazin-5-one
Basic Information
CAS
41394-05-2
Multi CAS
Yes
Molecular Formula
C10H10N4O
Molecular Weight
202.210000
Exact Mass
202.085461
InChI
InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
InChIKey
VHCNQEUWZYOAEV-UHFFFAOYSA-N
Physical Properties
Melting Point
167 °C
Density
600 kg/m³
Physical Description
COLOURLESS-TO-YELLOW CRYSTALS.
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
56.62
TPSA
73.8
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
0.7
Consensus LogP
0.44
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
