CAS RN: 642459-03-8
6-(chloropyrazin-2-yl)phenylamine
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.20260329 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS642459-03-8
- Purity/Analytical Methods: >99.0%
642459-03-8 / 6-chloro-N-phenylpyrazin-2-amine
Basic Information
CAS
642459-03-8
Multi CAS
No
Molecular Formula
C10H8CLN3
Molecular Weight
205.640000
Exact Mass
205.040675
InChI
InChI=1S/C10H8ClN3/c11-9-6-12-7-10(14-9)13-8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKey
IMACCNVRJOXLEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.77
TPSA
37.81
LogP / Solubility
WLOGP
2.87
MLOGP
2.53
XLogP3
2.6
Consensus LogP
2.67
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly 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)
-1.93
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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