CAS RN: 3435-24-3
4-(tert-Butyl)-6-chloro-1,3-diazine
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.20250428 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3435-24-3
- Purity/Analytical Methods: >99.0%
3435-24-3 / 4-tert-butyl-6-chloropyrimidine
Basic Information
CAS
3435-24-3
Multi CAS
No
Molecular Formula
C8H11CLN2
Molecular Weight
170.640000
Exact Mass
170.061076
InChI
InChI=1S/C8H11ClN2/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3
InChIKey
ILJAKOSYYVOLQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
45.74
TPSA
25.78
LogP / Solubility
WLOGP
2.43
MLOGP
2.13
XLogP3
2.9
Consensus LogP
2.49
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
Class (SILICOS-IT)
Moderately 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)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
