CAS RN: 205116-57-0
1-Piperazinecarboxamide,N-(1-methylethyl)-(9CI)
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.20250724 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS205116-57-0
- Purity/Analytical Methods: >99.0%
205116-57-0 / N-propan-2-ylpiperazine-1-carboxamide
Basic Information
CAS
205116-57-0
Multi CAS
No
Molecular Formula
C8H17N3O
Molecular Weight
171.240000
Exact Mass
171.137162
SMILES
CC(C)NC(=O)N1CCNCC1
InChI
InChI=1S/C8H17N3O/c1-7(2)10-8(12)11-5-3-9-4-6-11/h7,9H,3-6H2,1-2H3,(H,10,12)
InChIKey
JJRVDRJMXJJPDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.11
TPSA
44.37
LogP / Solubility
WLOGP
0.01
XLogP3
-0.3
Consensus LogP
-0.1
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
DECACHLOROBIPHENYL
- CAS RN: 2051-24-3
- Product Code: starshine_CAS2051-24-3
- Purity/Analytical method: >99.0%
-
BOC-L-4-CARBAMOYLPHE
- CAS RN: 205126-71-2
- Product Code: starshine_CAS205126-71-2
- Purity/Analytical method: >99.0%
-
-
-
-
1-methylheptyl acetate
- CAS RN: 2051-50-5
- Product Code: starshine_CAS2051-50-5
- Purity/Analytical method: >99.0%
