CAS RN: 315240-28-9
2-(piperidin-4-yl)-1,5,6,7-tetrahydro-1,8-naphthyridine
- Product code: SSC-136928
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 |
315240-28-9 / 7-piperidin-4-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
Basic Information
CAS
315240-28-9
Multi CAS
No
Molecular Formula
C13H19N3
Molecular Weight
217.310000
Exact Mass
217.157898
InChI
InChI=1S/C13H19N3/c1-2-11-3-4-12(16-13(11)15-7-1)10-5-8-14-9-6-10/h3-4,10,14H,1-2,5-9H2,(H,15,16)
InChIKey
QBNUMUXKAFIEGR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
65.89
TPSA
36.95
LogP / Solubility
WLOGP
1.91
MLOGP
1.68
XLogP3
1.7
Consensus LogP
1.76
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.69
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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