CAS RN: 774-89-0
ETHYL 2-(3-OXO-2-PIPERAZINYLIDENE)ACETATE
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.20251011 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS774-89-0
- Purity/Analytical Methods: >99.0%
774-89-0 / ethyl 2-(3-oxopiperazin-2-ylidene)acetate
Basic Information
CAS
774-89-0
Multi CAS
Yes
Molecular Formula
C8H12N2O3
Molecular Weight
184.190000
Exact Mass
184.084792
InChI
InChI=1S/C8H12N2O3/c1-2-13-7(11)5-6-8(12)10-4-3-9-6/h5,9H,2-4H2,1H3,(H,10,12)
InChIKey
OMOSGPZSZJCWHI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.73
TPSA
67.43
LogP / Solubility
WLOGP
-0.85
MLOGP
-0.75
Consensus LogP
-0.53
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.39
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.45
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
Customers Also Viewed
-
-
1-(4-FLUOROPHENYL)-2-NITROPROPENE
- CAS RN: 775-31-5
- Product Code: starshine_CAS775-31-5
- Purity/Analytical method: >99.0%
-
2-(1-Adamantyl)propan-2-ol
- CAS RN: 775-64-4
- Product Code: starshine_CAS775-64-4
- Purity/Analytical method: >99.0%
-
2-HYDROXY-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE
- CAS RN: 776-02-3
- Product Code: SSC-187153
-
ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE
- CAS RN: 776-53-4
- Product Code: SSC-187158
-
![CAS 776-02-3 2-HYDROXY-2-[4-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/776-02-3.gif)
