CAS RN: 1236262-73-9
4-(2-Aminopropanoyl)-2-piperazinone hydrochloride
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.20260603 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1236262-73-9
- Purity/Analytical Methods: >99.0%
1236262-73-9 / 4-(2-aminopropanoyl)piperazin-2-one;hydrochloride
Basic Information
CAS
1236262-73-9
Multi CAS
No
Molecular Formula
C7H14ClN3O2
Molecular Weight
207.660000
Exact Mass
207.077454
SMILES
CC(C(=O)N1CCNC(=O)C1)N.Cl
InChI
InChI=1S/C7H13N3O2.ClH/c1-5(8)7(12)10-3-2-9-6(11)4-10;/h5H,2-4,8H2,1H3,(H,9,11);1H
InChIKey
IEUQQEYLTKWGEI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.49
TPSA
75.43
LogP / Solubility
WLOGP
-1.29
MLOGP
-1.13
XLogP3
-1.29
Consensus LogP
-1.24
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.06
Class (SILICOS-IT)
Very 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)
-4.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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