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: 10g
- 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 |
|---|---|---|---|---|
| 10g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1060815-23-7 / ethyl 2-pyrazin-2-ylacetate
ETHYL 2-(PYRAZIN-2-YL)ACETATE | ethyl 2-pyrazin-2-ylacetate | MFCD10698624
Basic Information
CAS
1060815-23-7
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
CCOC(=O)CC1=NC=CN=C1
InChI
InChI=1S/C8H10N2O2/c1-2-12-8(11)5-7-6-9-3-4-10-7/h3-4,6H,2,5H2,1H3
InChIKey
OSHSECDFTBXQLP-UHFFFAOYSA-N
Synonyms
ETHYL 2-(PYRAZIN-2-YL)ACETATE
ethyl 2-pyrazin-2-ylacetate
MFCD10698624
PYRAZIN-2-YL-ACETIC ACID ETHYL ESTER
Ethyl (pyrazin-2-yl)acetate
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
42.37
TPSA
52.08
LogP / Solubility
WLOGP
0.58
MLOGP
0.51
Consensus LogP
0.36
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
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)
-3.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
