![CAS 869293-80-1 [2-(tetrahydro-2h-pyran-4-yloxy)pyridin-4-yl]methylamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB11508270.gif)
CAS RN: 869293-80-1
[2-(tetrahydro-2h-pyran-4-yloxy)pyridin-4-yl]methylamine
- Product code: SSC-196258
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
869293-80-1 / [2-(oxan-4-yloxy)-4-pyridinyl]methanamine
Basic Information
CAS
869293-80-1
Multi CAS
Yes
Molecular Formula
C11H16N2O2
Molecular Weight
208.260000
Exact Mass
208.121178
InChI
InChI=1S/C11H16N2O2/c12-8-9-1-4-13-11(7-9)15-10-2-5-14-6-3-10/h1,4,7,10H,2-3,5-6,8,12H2
InChIKey
HQJIPLPCDHLOFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.6
TPSA
57.37
LogP / Solubility
WLOGP
1.1
MLOGP
0.97
XLogP3
0.4
Consensus LogP
0.82
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-3.21
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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