CAS RN: 28230-47-9
(2,6-Dichloro-pyrimidin-4-yl)-phenyl-amine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250831 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS28230-47-9
- Purity/Analytical Methods: >99.0%
28230-47-9 / 2,6-dichloro-N-phenylpyrimidin-4-amine
Basic Information
CAS
28230-47-9
Multi CAS
No
Molecular Formula
C10H7CL2N3
Molecular Weight
240.090000
Exact Mass
239.001703
InChI
InChI=1S/C10H7Cl2N3/c11-8-6-9(15-10(12)14-8)13-7-4-2-1-3-5-7/h1-6H,(H,13,14,15)
InChIKey
WKVVPGGJSMZBKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.78
TPSA
37.81
LogP / Solubility
WLOGP
3.53
MLOGP
3.11
XLogP3
4
Consensus LogP
3.55
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
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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