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: 0.05g, 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 6
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.05g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.05g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.1g | -- | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 1 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1g | -- | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | >97% | 0 Out of Stock | Beijing | Inquiry |
26158-82-7 / 2-ethyl-1-methylpyrrolidine
Basic Information
CAS
26158-82-7
Multi CAS
No
Molecular Formula
C7H15N
Molecular Weight
113.200000
Exact Mass
113.120449
SMILES
CCC1CCCN1C
InChI
InChI=1S/C7H15N/c1-3-7-5-4-6-8(7)2/h7H,3-6H2,1-2H3
InChIKey
IDQXZLKEWHBPCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
35.94
TPSA
3.24
LogP / Solubility
WLOGP
1.49
MLOGP
1.3
XLogP3
1.7
Consensus LogP
1.5
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.35
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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