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CAS 129211-47-8 SPB molecular structure lightbox
CAS RN: 129211-47-8

SPB

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251210 1g Out of stock Inquiry
Batchno.20250629 250mg Out of stock Inquiry
Batchno.20250919 5g Out of stock Inquiry
  • Product code: SSC-036321
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 129211-47-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

129211-47-8 / 5-azoniaspiro[4.4]nonane tetrafluoroborate

Standard CAS: 129211-47-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129211-47-8
Multi CAS
No
Molecular Formula
C8H16BF4N
Molecular Weight
213.030000
Exact Mass
213.131192
SMILES
[B-](F)(F)(F)F.C1CC[N+]2(C1)CCCC2
InChI
InChI=1S/C8H16N.BF4/c1-2-6-9(5-1)7-3-4-8-9;2-1(3,4)5/h1-8H2;/q+1;-1
InChIKey
JOBDDXCMKDLDHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
H-bond acceptors
5
Molar refractivity
48.38
TPSA
0.0000

LogP / Solubility

WLOGP
2.69
MLOGP
2.37
XLogP3
2.69
Consensus LogP
2.58
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.11

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
2.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral] H373 (97.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P260, P264, P270, P301+P317, P319, P330, and P501

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