CAS RN: 5311-05-7
4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
- Product code: SSC-160322
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
5311-05-7 / 4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
Basic Information
CAS
5311-05-7
Multi CAS
No
Molecular Formula
C5F3H5N4O
Molecular Weight
194.110000
Exact Mass
194.041545
InChI
InChI=1S/C5H5F3N4O/c1-13-4-11-2(5(6,7)8)10-3(9)12-4/h1H3,(H2,9,10,11,12)
InChIKey
DTVMLDILWYLGLA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
35.79
TPSA
73.92
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
0.9
Consensus LogP
0.6
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
