CAS RN: 142890-12-8
AKOS B030300
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.20260105 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-054153
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
142890-12-8 / methyl 2-pyrazol-1-ylacetate
Basic Information
CAS
142890-12-8
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
SMILES
COC(=O)CN1C=CC=N1
InChI
InChI=1S/C6H8N2O2/c1-10-6(9)5-8-4-2-3-7-8/h2-4H,5H2,1H3
InChIKey
WJUHYXHQRFJCBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
34.24
TPSA
44.12
LogP / Solubility
WLOGP
0.06
MLOGP
0.04
XLogP3
0.3
Consensus LogP
0.13
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 142896-12-6 Ethanone, 1-[2-(1-methylethenyl)-4-pyridinyl]- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/142896-12-6.gif)
