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: 8
- 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 |
|---|---|---|---|---|
| 0.1g | -- | 5 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | -- | 5 In Stock | Shenzhen | Inquiry |
| 1g | >95% | 5 In Stock | Shanghai | Inquiry |
| 5g | -- | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Shenzhen | Inquiry |
21544-02-5 / 2-(aminomethyl)cyclopentan-1-amine
Basic Information
CAS
21544-02-5
Multi CAS
No
Molecular Formula
C6H14N2
Molecular Weight
114.190000
Exact Mass
114.115698
SMILES
C1CC(C(C1)N)CN
InChI
InChI=1S/C6H14N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-4,7-8H2
InChIKey
SRGQQZYVZFJYHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
34.37
TPSA
52.04
LogP / Solubility
WLOGP
0.07
MLOGP
0.05
XLogP3
0.1
Consensus LogP
0.07
Log S (ESOL)
-0.53
Class (ESOL)
Very soluble
Log S (Ali)
-0.55
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
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)
-3.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
![CAS 215453-35-3 Thieno[3,2-c]pyridin-4-amine (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/215453-35-3.gif)
