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CAS 885517-05-5 1-Azabicyclo[2.2.2]octane-2-carbonitrile, (2R)- molecular structure lightbox
CAS RN: 885517-05-5

1-Azabicyclo[2.2.2]octane-2-carbonitrile, (2R)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260522 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-199484
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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: 1g
  • 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 885517-05-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

885517-05-5 / 1-azabicyclo[2.2.2]octane-2-carbonitrile

Standard CAS: 885517-05-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885517-05-5
Multi CAS
Yes
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
InChI
InChI=1S/C8H12N2/c9-6-8-5-7-1-3-10(8)4-2-7/h7-8H,1-5H2/t8-/m1/s1
InChIKey
NZOYWQFJJHBAAF-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
H-bond acceptors
2
Molar refractivity
38.32
TPSA
27.03

LogP / Solubility

WLOGP
0.99
MLOGP
0.87
XLogP3
1
Consensus LogP
0.95
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.39
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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