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 | Shanghai | Inquiry |
1187931-30-1 / (2R)-1-ethyl-2-methylpiperazine
1-Ethyl-2-methylpiperazine | DTXSID50955278 | RefChem:432405
Basic Information
CAS
1187931-30-1
Multi CAS
Yes
Molecular Formula
C7H16N2
Molecular Weight
128.220000
Exact Mass
128.131349
SMILES
CCN1CCNC[C@H]1C
InChI
InChI=1S/C7H16N2/c1-3-9-5-4-8-6-7(9)2/h7-8H,3-6H2,1-2H3/t7-/m1/s1
InChIKey
AKCOBIDAJNERRN-SSDOTTSWSA-N
Synonyms
1-Ethyl-2-methylpiperazine
DTXSID50955278
RefChem:432405
DTXCID801383279
675-126-8
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.58
TPSA
15.27
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
XLogP3
0.4
Consensus LogP
0.32
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.83
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.86
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)
-3.29
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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