CAS RN: 73742-54-8
Piperazine, 1-(1-methylethyl)-4-nitroso- (9CI)
- Product code: SSC-183150
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 | Beijing | Inquiry |
73742-54-8 / 1-nitroso-4-propan-2-ylpiperazine
Basic Information
CAS
73742-54-8
Multi CAS
No
Molecular Formula
C7H15N3O
Molecular Weight
157.210000
Exact Mass
157.121512
InChI
InChI=1S/C7H15N3O/c1-7(2)9-3-5-10(8-11)6-4-9/h7H,3-6H2,1-2H3
InChIKey
ZQZWSARBZYEXRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.08
TPSA
35.91
LogP / Solubility
WLOGP
0.69
MLOGP
0.61
XLogP3
1
Consensus LogP
0.77
Log S (ESOL)
-1.12
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.19
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
