CAS RN: 1608-67-9
tetrahydro-2-furyl acetate
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.20260424 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1608-67-9
- Purity/Analytical Methods: >99.0%
1608-67-9 / oxolan-2-yl acetate
Basic Information
CAS
1608-67-9
Multi CAS
No
Molecular Formula
C6H10O3
Molecular Weight
130.140000
Exact Mass
130.062994
SMILES
CC(=O)OC1CCCO1
InChI
InChI=1S/C6H10O3/c1-5(7)9-6-3-2-4-8-6/h6H,2-4H2,1H3
InChIKey
DCMUJUQQBAFVLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
30.74
TPSA
35.53
LogP / Solubility
WLOGP
0.69
MLOGP
0.6
XLogP3
0.6
Consensus LogP
0.63
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.12
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.2
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)
-3.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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