CAS RN: 5612-67-9
2-methyl-3-furaldehyde
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.20250707 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5612-67-9
- Purity/Analytical Methods: >99.0%
5612-67-9 / 2-methylfuran-3-carbaldehyde
Basic Information
CAS
5612-67-9
Multi CAS
No
Molecular Formula
C6H6O2
Molecular Weight
110.110000
Exact Mass
110.036779
InChI
InChI=1S/C6H6O2/c1-5-6(4-7)2-3-8-5/h2-4H,1H3
InChIKey
WBFUBNWKSDINIX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
28.83
TPSA
30.21
LogP / Solubility
WLOGP
1.4
MLOGP
1.22
XLogP3
0.8
Consensus LogP
1.14
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-2.4
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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