CAS RN: 22734-04-9
1-Cyclopentenylacetonitrile
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-110832
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 |
22734-04-9 / 2-(cyclopenten-1-yl)acetonitrile
Basic Information
CAS
22734-04-9
Multi CAS
No
Molecular Formula
C7H9N
Molecular Weight
107.150000
Exact Mass
107.073499
SMILES
C1CC=C(C1)CC#N
InChI
InChI=1S/C7H9N/c8-6-5-7-3-1-2-4-7/h3H,1-2,4-5H2
InChIKey
LEWVRAMNXUWSFL-UHFFFAOYSA-N
Physical Properties
Physical Description
Clear light yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.16
TPSA
23.79
LogP / Solubility
WLOGP
2.01
MLOGP
1.76
XLogP3
1.1
Consensus LogP
1.62
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately 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)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
