CAS RN: 10599-59-4
2-Isopropylfuran
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250426 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS10599-59-4
- Purity/Analytical Methods: >99.0%
10599-59-4 / 2-propan-2-ylfuran
2-isopropylfuran | 2-propan-2-ylfuran | 2-(propan-2-yl)furan
Basic Information
CAS
10599-59-4
Multi CAS
No
Molecular Formula
C7H10O
Molecular Weight
110.150000
Exact Mass
110.073165
SMILES
CC(C)C1=CC=CO1
InChI
InChI=1S/C7H10O/c1-6(2)7-4-3-5-8-7/h3-6H,1-2H3
InChIKey
AFOPCURQYRRFRQ-UHFFFAOYSA-N
Synonyms
2-isopropylfuran
2-propan-2-ylfuran
2-(propan-2-yl)furan
B44A434J7U
DTXSID50480176
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
32.8
TPSA
13.14
LogP / Solubility
WLOGP
2.4
MLOGP
2.1
XLogP3
2.1
Consensus LogP
2.2
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately 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)
-1.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
