CAS RN: 95-89-6
3-Chloro-2,5-dimethylpyrazine
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-210204
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >97% | 2 In Stock | Beijing | Inquiry |
| 5g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 10g | >97% | 0 Out of Stock | Hong Kong | Inquiry |
| 25g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 100g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
95-89-6 / 3-chloro-2,5-dimethylpyrazine
Basic Information
CAS
95-89-6
Multi CAS
Yes
Molecular Formula
C6H7CLN2
Molecular Weight
142.580000
Exact Mass
142.029776
InChI
InChI=1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3
InChIKey
NNBALVIZMGWZHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
36.52
TPSA
25.78
LogP / Solubility
WLOGP
1.75
MLOGP
1.53
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
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)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
