![CAS 1193090-76-4 7-Azabicyclo[2.2.1]heptane-1-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1193090-76-4.gif)
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 |
1193090-76-4 / 7-azabicyclo[2.2.1]heptane-1-carbonitrile
7-azabicyclo[2.2.1]heptane-1-carbonitrile | MFCD19220918 | SCHEMBL1203253
Basic Information
CAS
1193090-76-4
Multi CAS
No
Molecular Formula
C7H10N2
Molecular Weight
122.170000
Exact Mass
122.084398
SMILES
C1CC2(CCC1N2)C#N
InChI
InChI=1S/C7H10N2/c8-5-7-3-1-6(9-7)2-4-7/h6,9H,1-4H2
InChIKey
DSAQJGKQAQQZEM-UHFFFAOYSA-N
Synonyms
7-azabicyclo[2.2.1]heptane-1-carbonitrile
MFCD19220918
SCHEMBL1203253
AKOS006354857
SY263267
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.74
TPSA
35.82
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.5
Consensus LogP
0.66
Log S (ESOL)
-1.1
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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