CAS RN: 1446507-38-5
6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine-2,4(1H,3H)-dione
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251023 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1446507-38-5
- Purity/Analytical Methods: >99.0%
1446507-38-5 / 6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-dione
Basic Information
CAS
1446507-38-5
Multi CAS
No
Molecular Formula
C9H5F3N4O2
Molecular Weight
258.160000
Exact Mass
258.036460
SMILES
C1=CC(=NC(=C1)C(F)(F)F)C2=NC(=O)NC(=O)N2
InChI
InChI=1S/C9H5F3N4O2/c10-9(11,12)5-3-1-2-4(13-5)6-14-7(17)16-8(18)15-6/h1-3H,(H2,14,15,16,17,18)
InChIKey
JBXAKQJKSGOFNP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.71
TPSA
91.5
LogP / Solubility
WLOGP
0.54
MLOGP
0.48
XLogP3
0.9
Consensus LogP
0.64
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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