CAS RN: 2227206-74-6
(4-methylpiperazin-2-yl)methanol dihydrochloride
- Product code: SSC-107504
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 |
2227206-74-6 / (4-methylpiperazin-2-yl)methanol;dihydrochloride
Basic Information
CAS
2227206-74-6
Multi CAS
No
Molecular Formula
C6H16Cl2N2O
Molecular Weight
203.110000
Exact Mass
202.063969
SMILES
CN1CCNC(C1)CO.Cl.Cl
InChI
InChI=1S/C6H14N2O.2ClH/c1-8-3-2-7-6(4-8)5-9;;/h6-7,9H,2-5H2,1H3;2*1H
InChIKey
ZLFRLJXNPSDOCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.87
TPSA
35.5
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.24
XLogP3
-0.27
Consensus LogP
-0.26
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
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)
-4.15
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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