![CAS 89852-17-5 methyl 2-[(2S)-3-oxo-2,4,5,6-tetrahydropyrazin-2-yl]acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89852-17-5.gif)
CAS RN: 89852-17-5
methyl 2-[(2S)-3-oxo-2,4,5,6-tetrahydropyrazin-2-yl]acetate
- Product code: SSC-201942
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 |
89852-17-5 / methyl 2-[(2S)-3-oxopiperazin-2-yl]acetate
Basic Information
CAS
89852-17-5
Multi CAS
Yes
Molecular Formula
C7H12N2O3
Molecular Weight
172.180000
Exact Mass
172.084792
InChI
InChI=1S/C7H12N2O3/c1-12-6(10)4-5-7(11)9-3-2-8-5/h5,8H,2-4H2,1H3,(H,9,11)/t5-/m0/s1
InChIKey
IPEHBEGTVNYMPV-YFKPBYRVSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.43
TPSA
67.43
LogP / Solubility
WLOGP
-1.36
MLOGP
-1.2
XLogP3
-1.2
Consensus LogP
-1.25
Log S (ESOL)
0.08
Class (ESOL)
Highly soluble
Log S (Ali)
0.01
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.11
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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