CAS RN: 951884-06-3
N-Butyl-6-chloropyrazin-2-amine
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.20251115 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS951884-06-3
- Purity/Analytical Methods: >99.0%
951884-06-3 / N-butyl-6-chloropyrazin-2-amine
Basic Information
CAS
951884-06-3
Multi CAS
No
Molecular Formula
C8H12CLN3
Molecular Weight
185.650000
Exact Mass
185.071975
InChI
InChI=1S/C8H12ClN3/c1-2-3-4-11-8-6-10-5-7(9)12-8/h5-6H,2-4H2,1H3,(H,11,12)
InChIKey
OKVJMONLCSTWSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.44
TPSA
37.81
LogP / Solubility
WLOGP
2.34
MLOGP
2.06
XLogP3
2.3
Consensus LogP
2.23
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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