![CAS 359878-82-3 4-Piperidinamine,N-[2-(2-thienyl)ethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/359878-82-3(2).gif)
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 | Shenzhen | Inquiry |
359878-82-3 / N-(2-thiophen-2-ylethyl)piperidin-4-amine
Basic Information
CAS
359878-82-3
Multi CAS
No
Molecular Formula
C11H18N2S
Molecular Weight
210.340000
Exact Mass
210.119070
InChI
InChI=1S/C11H18N2S/c1-2-11(14-9-1)5-8-13-10-3-6-12-7-4-10/h1-2,9-10,12-13H,3-8H2
InChIKey
GLBXFTNDAFZXEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.92
TPSA
24.06
LogP / Solubility
WLOGP
1.63
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.56
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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