CAS RN: 434937-12-9
1-(Cyanomethyl)piperidinium Tetrafluoroborate
- Product code: SSC-151685
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 | Shenzhen | Inquiry |
434937-12-9 / 2-piperidin-1-ium-1-ylacetonitrile tetrafluoroborate
Basic Information
CAS
434937-12-9
Multi CAS
Yes
Molecular Formula
BC7F4H13N2
Molecular Weight
212.000000
Exact Mass
212.110791
InChI
InChI=1S/C7H12N2.BF4/c8-4-7-9-5-2-1-3-6-9;2-1(3,4)5/h1-3,5-7H2;/q;-1/p+1
InChIKey
HSIKBRNFKUNHIN-UHFFFAOYSA-O
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.21
TPSA
28.23
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.88
Consensus LogP
0.84
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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