CAS RN: 21963-27-9
2(5H)-Furanone, 4-propyl-
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.20250108 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shandong, Shanghai, Hebei | 8-10 business days | Inquiry |
- Product code: starshine_CAS21963-27-9
- Purity/Analytical Methods: >99.0%
21963-27-9 / 3-propyl-2H-furan-5-one
Basic Information
CAS
21963-27-9
Multi CAS
No
Molecular Formula
C7H10O2
Molecular Weight
126.150000
Exact Mass
126.068080
SMILES
CCCC1=CC(=O)OC1
InChI
InChI=1S/C7H10O2/c1-2-3-6-4-7(8)9-5-6/h4H,2-3,5H2,1H3
InChIKey
KSUAOJBVUIYHSM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
33.95
TPSA
26.3
LogP / Solubility
WLOGP
1.27
MLOGP
1.11
XLogP3
1.1
Consensus LogP
1.16
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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