CAS RN: 592-51-8
4-Pentenenitrile
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-167613
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
592-51-8 / pent-4-enenitrile
Basic Information
CAS
592-51-8
Multi CAS
No
Molecular Formula
C5H7N
Molecular Weight
81.120000
Exact Mass
81.057849
InChI
InChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2
InChIKey
CFEYBLWMNFZOPB-UHFFFAOYSA-N
Physical Properties
Boiling Point
140 °C
Density
0.8239 AT 24 °C
Physical Description
Liquid
Slightly yellow clear liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
25.04
TPSA
23.79
LogP / Solubility
WLOGP
1.48
MLOGP
1.28
XLogP3
1
Consensus LogP
1.25
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-2.17
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
