CAS RN: 1777812-91-5
(2S)-2-ethyl-1-methylpiperazine dihydrochloride
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.20250626 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1777812-91-5
- Purity/Analytical Methods: >99.0%
1777812-91-5 / (2S)-2-ethyl-1-methylpiperazine;dihydrochloride
Basic Information
CAS
1777812-91-5
Multi CAS
No
Molecular Formula
C7H18Cl2N2
Molecular Weight
201.130000
Exact Mass
200.084704
SMILES
CC[C@H]1CNCCN1C.Cl.Cl
InChI
InChI=1S/C7H16N2.2ClH/c1-3-7-6-8-4-5-9(7)2;;/h7-8H,3-6H2,1-2H3;2*1H/t7-;;/m0../s1
InChIKey
NFSYLRGPJQKESC-KLXURFKVSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.07
TPSA
15.27
LogP / Solubility
WLOGP
1.14
MLOGP
1.01
XLogP3
1.14
Consensus LogP
1.1
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately 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)
-3.14
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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