![CAS 345892-44-6 Spiro[2.2]pentane-1-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/345892-44-6.gif)
CAS RN: 345892-44-6
Spiro[2.2]pentane-1-carbonitrile
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-141082
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: 0.1g, 0.25g, 1g, 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.
345892-44-6 / spiro[2.2]pentane-2-carbonitrile
Basic Information
CAS
345892-44-6
Multi CAS
No
Molecular Formula
C6H7N
Molecular Weight
93.130000
Exact Mass
93.057849
InChI
InChI=1S/C6H7N/c7-4-5-3-6(5)1-2-6/h5H,1-3H2
InChIKey
BNPPLVMEMALWJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.83
H-bond acceptors
1
Molar refractivity
25.39
TPSA
23.79
LogP / Solubility
WLOGP
1.31
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-1.24
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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