CAS RN: 85155-83-5
(4-methyl-2-piperazinyl)methanol(SALTDATA: FREE)
- Product code: SSC-193340
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 | Shenzhen | Inquiry |
85155-83-5 / (4-methylpiperazin-2-yl)methanol
Basic Information
CAS
85155-83-5
Multi CAS
No
Molecular Formula
C6H14N2O
Molecular Weight
130.190000
Exact Mass
130.110613
InChI
InChI=1S/C6H14N2O/c1-8-3-2-7-6(4-8)5-9/h6-7,9H,2-5H2,1H3
InChIKey
JVIKJOXETSHPGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
36.37
TPSA
35.5
LogP / Solubility
WLOGP
-1.12
MLOGP
-0.99
XLogP3
-1
Consensus LogP
-1.04
Log S (ESOL)
0.12
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.3
Class (SILICOS-IT)
Highly 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)
-4.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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