CAS RN: 53788-12-8
4-ETHYL-PIPERAZINE-1-CARBONYL CHLORIDE
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.20251117 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS53788-12-8
- Purity/Analytical Methods: >99.0%
53788-12-8 / 4-ethylpiperazine-1-carbonyl chloride
Basic Information
CAS
53788-12-8
Multi CAS
No
Molecular Formula
C7H13CLN2O
Molecular Weight
176.640000
Exact Mass
176.071641
InChI
InChI=1S/C7H13ClN2O/c1-2-9-3-5-10(6-4-9)7(8)11/h2-6H2,1H3
InChIKey
RPCDOVPDLRWOJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
44.94
TPSA
23.55
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.74
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)
-3.1
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
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