CAS RN: 2806-84-0
3-METHOXY-PROPIONALDEHYDE
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250616 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2806-84-0
- Purity/Analytical Methods: >99.0%
2806-84-0 / 3-methoxypropanal
Basic Information
CAS
2806-84-0
Multi CAS
No
Molecular Formula
C4H8O2
Molecular Weight
88.110000
Exact Mass
88.052429
InChI
InChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChIKey
OXGJKCALURPRCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
22.56
TPSA
26.3
LogP / Solubility
WLOGP
0.22
MLOGP
0.18
XLogP3
-0.5
Consensus LogP
-0.03
Log S (ESOL)
-0.33
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-3.1
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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