CAS RN: 1046788-71-9
(2R,5S)-1,2,5-triMethylpiperazine 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.20260206 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-006429
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1046788-71-9 / (2R,5S)-1,2,5-trimethylpiperazine;hydrochloride
SCHEMBL4434732 | DTXSID50703039 | SB47101
Basic Information
CAS
1046788-71-9
Multi CAS
Yes
Molecular Formula
C7H17ClN2
Molecular Weight
164.670000
Exact Mass
164.108026
SMILES
C[C@@H]1CN[C@H](CN1C)C.Cl
InChI
InChI=1S/C7H16N2.ClH/c1-6-5-9(3)7(2)4-8-6;/h6-8H,4-5H2,1-3H3;1H/t6-,7+;/m0./s1
InChIKey
HTJODMQOZCPIRR-UOERWJHTSA-N
Synonyms
SCHEMBL4434732
DTXSID50703039
SB47101
1,2,5-trimethylpiperazine;hydrochloride
1,2,5-Trimethylpiperazine--hydrogen chloride (1/1)
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.8
TPSA
15.27
LogP / Solubility
WLOGP
0.72
MLOGP
0.63
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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