CAS RN: 60784-31-8
(Z)-non-2-enal
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.20251225 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS60784-31-8
- Purity/Analytical Methods: >99.0%
60784-31-8 / non-2-enal
Basic Information
CAS
60784-31-8
Multi CAS
Yes
Molecular Formula
C9H16O
Molecular Weight
140.220000
Exact Mass
140.120115
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7-
InChIKey
BSAIUMLZVGUGKX-FPLPWBNLSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
43.96
TPSA
17.07
LogP / Solubility
WLOGP
2.71
MLOGP
2.38
XLogP3
3.1
Consensus LogP
2.73
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly 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)
-1.65
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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