CAS RN: 27282-85-5
2-(tert-Butylamino)-4,6-dichloro-1,3,5-triazine
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.20250411 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS27282-85-5
- Purity/Analytical Methods: >99.0%
27282-85-5 / N-tert-butyl-4,6-dichloro-1,3,5-triazin-2-amine
Basic Information
CAS
27282-85-5
Multi CAS
No
Molecular Formula
C7H10Cl2N4
Molecular Weight
221.080000
Exact Mass
220.028252
SMILES
CC(C)(C)NC1=NC(=NC(=N1)Cl)Cl
InChI
InChI=1S/C7H10Cl2N4/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H,10,11,12,13)
InChIKey
ASPFUMMXOGOLNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.22
TPSA
50.7
LogP / Solubility
WLOGP
2.39
MLOGP
2.1
XLogP3
3.3
Consensus LogP
2.6
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly 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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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