CAS RN: 4786-23-6
4-Methyl-3-penetenenitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260509 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4786-23-6
- Purity/Analytical Methods: >99.0%
4786-23-6 / 4-methylpent-3-enenitrile
Basic Information
CAS
4786-23-6
Multi CAS
No
Molecular Formula
C6H9N
Molecular Weight
95.140000
Exact Mass
95.073499
InChI
InChI=1S/C6H9N/c1-6(2)4-3-5-7/h4H,3H2,1-2H3
InChIKey
AYDNYRHVOPYCDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
29.66
TPSA
23.79
LogP / Solubility
WLOGP
1.87
MLOGP
1.63
XLogP3
1.6
Consensus LogP
1.7
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
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)
-1.98
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
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